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• METHYL 6-NITRO-INDOLINE-2-CARBOXYLATE
IUPAC Name: methyl 6-nitro-2,3-dihydro-1H-indole-2-carboxylate | CAS Registry Number: 428861-43-2
Synonyms: methyl 6-nitroindoline-2-carboxylate, AGN-PC-0CXX5X, SureCN3417137, CTK4I6752, AG-F-52249, KB-257753, AM20040458, 6-Nitro-2,3-dihydro-1H-indole-2-carboxylic acid methyl ester, 1H-Indole-2-carboxylic acid, 2,3-dihydro-6-nitro-, methyl ester, 1H-Indole-2-carboxylicacid, 2,3-dihydro-6-nitro-, methyl ester

Molecular Formula: C10H10N2O4Molecular Weight: 222.197400 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: PEFQAKIOILEYAZ-UHFFFAOYSA-N

• Mifepristone
IUPAC Name: (8S,11R,13S,14S,17S)-11-[4-(dimethylamino)phenyl]-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one | CAS Registry Number: 84371-65-3
Synonyms: mifepristone, Mifeprex, Mifegyne, Mifepriston, Pictovir, Corlux, Mifepristonum [Latin], Mifepristona [Spanish], Mifeprex (TN), Prestwick_570, RU-486, Prestwick0_000299, Prestwick1_000299, Prestwick2_000299, Prestwick3_000299, Spectrum5_002045, RU486, Mifepristone (USAN/INN), Lopac0_000801, BSPBio_000238

Molecular Formula: C29H35NO2Molecular Weight: 429.593700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: VKHAHZOOUSRJNA-GCNJZUOMSA-N

• Milrinone
IUPAC Name: 6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile | CAS Registry Number: 78415-72-2
Synonyms: milrinone, Primacor, Milrinone lactate, Milrila, Milrinonum [Latin], Milrinona [Spanish], Milrila (TN), Ambap5086, Tocris-1504, Prestwick0_001065, Prestwick1_001065, Prestwick2_001065, Prestwick3_001065, Lopac-M-4659, Milrinone [USAN:BAN:INN], CCRIS 3795, Lopac0_000737, BSPBio_001050, Milrinone (JAN/USAN/INN), MLS000028818

Molecular Formula: C12H9N3OMolecular Weight: 211.219360 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: PZRHRDRVRGEVNW-UHFFFAOYSA-N

• mitiglinide
IUPAC Name: calcium (2S)-4-[(3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2-benzyl-4-oxobutanoate | CAS Registry Number: 145525-41-3
Synonyms: Mitiglinide, Mitiglinide calcium, Kad-1229, KAD 1229, 2C19H24NO3.Ca, CID5478927, LS-173249, C13326, S21403, 2-Benzyl-3-(hexahydro-2-isoindolinylcarbonyl)propionate, Calcium 2-benzyl-3-(cis-hexahydro-2-isoindolinylcarbonyl)propionate dihydrate, 2H-Isoindole-2-butanoic acid, octahydro-gamma-oxo-alpha-(phenylmethyl)-, calcium salt, (2(S)-cis)-

Molecular Formula: C38H48CaN2O6Molecular Weight: 668.875520 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: PMRVFZXOCRHXFE-FMEJWYFOSA-L

• Mivacurium Chloride
IUPAC Name: bis[3-[(1R)-6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl] (E)-oct-4-enedioate dichloride | CAS Registry Number: 106861-44-3
Synonyms: Mivacron, MIVACURIUM CHLORIDE, Mivacron (TN), BW B109OU dichloride, Mivacurii chloridum [Latin], Cloruro de mivacurio [Spanish], Chlorure de mivacurium [French], BW-B1090U, Mivacurium chloride (USAN/INN), C58H80N2O14, Mivacurium chloride [USAN:BAN:INN], Mivacurium chloride [USAN:INN:BAN], CID5281080, LS-172022, D00763, MIVACRON IN DEXTROSE 5% IN PLASTIC CONTAINER, (R)-1,2,3,4-Tetrahydro-2-(3-hydroxypropyl)-6,7-dimethoxy-2-methyl-1-(3,4,5-trimethoxybenzyl)isoquinolinium chloride, (E)-4-octenedioate (2:1), Isoquinolinium, 2,2'-((1,8-dioxo-4-octene-1,8-diyl)bis(oxy-3,1-propanediyl))bis(1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-((3,4,5-trimethoxyphenyl)methyl)-, dichloride, (R-(R*,R*-(E)))-

Molecular Formula: C58H80Cl2N2O14Molecular Weight: 1100.166800 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 16

InChIKey: WMSYWJSZGVOIJW-ONUALHDOSA-L

• MK 5108
IUPAC Name: 4-(3-chloro-2-fluorophenoxy)-1-[[6-(1,3-thiazol-2-ylamino)pyridin-2-yl]methyl]cyclohexane-1-carboxylic acid | CAS Registry Number: 1010085-13-8
Synonyms: MK-5108, MK5108, VX-689, MK-5108 (VX-689), cc-619, UNII-H8J407531S, VX689, VX 689, BCP9000941, CS-0696, MK 5108, VX 689, NCGC00346657-01, HY-13252, BCP0726000016, 1010085-13-8 , C22H21ClFN3O3S , MK5108 , MK 5108, MK-5108|1010085-13-8|VX-689|VX 689|MK5108|VX689, Cyclohexanecarboxylic acid, 4-(3-chloro-2-fluorophenoxy)-1-((6-(2-thiazolylamino)-2-pyridinyl)methyl)-, trans-

Molecular Formula: C22H21ClFN3O3SMolecular Weight: 461.936843 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: LCVIRAZGMYMNNT-UHFFFAOYSA-N

• MK-1775
IUPAC Name: 1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-[4-(4-methylpiperazin-1-yl)anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one | CAS Registry Number: 955365-80-7
Synonyms: MK1775, MK 1775, MK1775, MK-1775, 2-allyl-1-(6-(2-hydroxypropan-2-yl)pyridin-2-yl)-6-(4-(4-methylpiperazin-1-yl)phenylamino)-1H-pyrazolo[3,4-d]pyrimidin-3(2H)-one, 3H-Pyrazolo(3,4-d)pyrimidin-3-one, 1,2-dihydro-1-(6-(1-hydroxy-1-methylethyl)-2-pyridinyl)-6-((4-(4-methyl-1-piperazinyl)phenyl)amino)-2-(2-propen-1-yl)-, 3H-Pyrazolo[3,4-d]pyrimidin-3-one, 1,2-dihydro-1-[6-(1-hydroxy-1-methylethyl)-2-pyridinyl]-6-[[4-(4-methyl-1-piperazinyl)phenyl]amino]-2-(2-propen-1-yl)-, S1525_Selleck, Kinome_2656, UNII-K2T6HJX3I3, SureCN1504444, cc-686, QCR-46, MolPort-016-633-227, DCL000569, AM90274, BCP9000937, CS-0105, MK-1775-Supplied by Selleck Chemicals, NCGC00263183-01, HY-10993

Molecular Formula: C27H32N8O2Molecular Weight: 500.595380 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 9

InChIKey: BKWJAKQVGHWELA-UHFFFAOYSA-N

• MK-4827 (HCl)
IUPAC Name: 2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide;hydrochloride | CAS Registry Number: 1038915-64-8
Synonyms: UNII-L4JFC1PHCI, SureCN567839, 2-(4-((3S)-Piperidin-3-yl)phenyl)-2H-indazole-7-carboxamide hydrochloride, 2-(4-(Piperidin-3-yl)phenyl)-2H-indazole-7-carboxamide hydrochloride, 2H-Indazole-7-carboxamide, 2-(4-(3S)-3-piperidinylphenyl)-, hydrochloride (1:1)

Molecular Formula: C19H21ClN4OMolecular Weight: 356.849240 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: YXYDNYFWAFBCAN-PFEQFJNWSA-N

• MKC-1
IUPAC Name: 3-(1-methylindol-3-yl)-4-(1-methyl-6-nitroindol-3-yl)pyrrole-2,5-dione | CAS Registry Number: 125313-92-0
Synonyms: Bisindolylmaleimide deriv. 44, AC1NS2UU, Ro-31-7453, CHEMBL52885, 3-(1-methylindol-3-yl)-4-(1-methyl-6-nitroindol-3-yl)pyrrole-2,5-dione, CID5327686, UNII-DNZ11VPY7Q, SureCN608128, DCL000366, Ro 31-7453, R 440, 1H-pyrrole-2,5-dione, 3-(1-methyl-1h-indol-3-yl)-4-(1-methyl-6-nitro-1h-indol-3-yl)-, 443912-18-3

Molecular Formula: C22H16N4O4Molecular Weight: 400.386840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: OVSKGTONMLKNPZ-UHFFFAOYSA-N

• MLN4924
IUPAC Name: [(2S,4R)-4-[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]-2-hydroxycyclopentyl]methyl sulfamate | CAS Registry Number: 905579-51-3
Synonyms: KB-78921

Molecular Formula: C21H25N5O4SMolecular Weight: 443.519300 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 8

InChIKey: MPUQHZXIXSTTDU-LPISGYMPSA-N

• Muscimol
IUPAC Name: 5-(aminomethyl)-1,2-oxazol-3-one | CAS Registry Number: 2763-96-4
Synonyms: muscimol, Pantherine, Agarine, Agarin, Pantherin, Muscimol hydrobromide, 5-Aminomethyl-3-isoxyzole, 5-(Aminomethyl)-3-isoxazolol, Tocris-0289, RCRA waste no. P007, RCRA waste number P007, Lopac-G-019, 3-Hydroxy-5-aminomethylisoxazole, 5-Aminomethyl-3-hydroxyisoxazole, Biomol-NT_000255, 5-Aminomethyl-3-isoxazolol, 3-Isoxazolol, 5-(aminomethyl)-, CCRIS 3720, Lopac0_000591, 5-Aminomethyl-isoxazol-3-ol

Molecular Formula: C4H6N2O2Molecular Weight: 114.102640 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: ZJQHPWUVQPJPQT-UHFFFAOYSA-N

• N'-[4-[4-[2-[3-[(Dimethylamino)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1-ethyl-1H-pyrazol-3-yl]phenyl]-N,N-dimethylurea
IUPAC Name: 3-[4-[4-[2-[3-[(dimethylamino)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1-ethylpyrazol-3-yl]phenyl]-1,1-dimethylurea | CAS Registry Number: 942918-07-2
Synonyms: GSK1070916, GSK 1070916, GSK-1070916, CHEMBL1090479, CHEBI:722556, AKOS005145558, GSK 1070916, 942918-07-2, 3-(4-(4-(2-(3-((dimethylamino)methyl)phenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl)-1-ethyl-1H-pyrazol-3-yl)phenyl)-1,1-dimethylurea, UNII-8VLB51V7HO, SureCN4305006, cc-423, HMS3265K13, HMS3265K14, HMS3265L13, HMS3265L14, ACT06827, DCL001072, DNC010677, GSK-1070916A, BCP9000733

Molecular Formula: C30H33N7OMolecular Weight: 507.629320 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: QTBWCSQGBMPECM-UHFFFAOYSA-N

• N,N'-[1,2-Ethanediylbis(oxy-2,1-phenylene)]bis[N-(carboxymethyl)glycine 1,1'-bis[2-(octyloxy)ethyl] ester
IUPAC Name: 2-[2-[2-[2-[carboxymethyl-[2-(2-octoxyethoxy)-2-oxoethyl]amino]phenoxy]ethoxy]-N-[2-(2-octoxyethoxy)-2-oxoethyl]anilino]acetic acid | CAS Registry Number: 222315-88-0
Synonyms: DP-b99, SCHEMBL720046, DP-b 99, DP-BAPTA-99, DP-b99, 2,2'-(((ethane-1,2-diylbis(oxy))bis(2,1-phenylene))bis((2-(2-(octyloxy)ethoxy)-2-oxoethyl)azanediyl))diacetic acid, 343340-21-6

Molecular Formula: C42H64N2O12Molecular Weight: 788.963760 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 14

InChIKey: FTGBVHPWUIHWRH-UHFFFAOYSA-N

• N-((2S,3S)-4-(4-Chlorophenyl)-3-(3-cyanophenyl)butan-2-yl)-2-methyl-2-(5-(trifluoromethyl)pyridin-2-yloxy)propanamide
IUPAC Name: N-[(2S,3S)-4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]-2-methyl-2-[5-(trifluoromethyl)pyridin-2-yl]oxypropanamide | CAS Registry Number: 1204240-86-7
Synonyms: Taranabant, MK-0364, MK0364, MK 0364, Taranabant [USAN], 701977-09-5, CHEMBL220360, UNII-X9U622S114, CHEBI:464983, AKOS005145560, MK-0634, LS-193766, D09009, N-(3-(4-chlorophenyl)-2-(3-cyanophenyl)-1-methylpropyl)-2-methyl-2-((5-(trifluoromethyl)pyridin-2-yl)oxy)propanamide, l]-2-methyl-2-[(5-(trifluoromethyl)pyridin-2-yl)oxy]propanamide, N-((1S,2S)-3-(4-chlorophenyl)-2-(3-cyanophenyl)-1-methylpropyl)-2-methyl-2-((5-(trifluoromethyl)pyridin-2-yl)oxy)propanamide, N-[(1S,2S)-3-(4-Chlorophenyl)-2-(3-cyanophenyl)-1-methylpropyl]-2-methyl-2-[[5-(trifluoromethyl)pyridin-2-yl]oxy]propanamide, Propanamide, N-((1S,2S)-3-(4-chlorophenyl)-2-(3-cyanophenyl)-1-methylpropyl)-2-methyl-2-((5-(trifluoromethyl)-2-pyridinyl)oxy)-, Propanamide, N-[(1S,2S)-3-(4-chlorophenyl)-2-(3-cyanophenyl)-1-methylpropyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-, CID11226090

Molecular Formula: C27H25ClF3N3O2Molecular Weight: 515.954510 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: QLYKJCMUNUWAGO-GAJHUEQPSA-N

• N-(1,1-Dimethylethyl)-3-[[5-methyl-2-[[3-(4-morpholinylmethyl)phenyl]amino]-4-pyrimidinyl]amino]benzenesulfonamide
IUPAC Name: N-tert-butyl-3-[[5-methyl-2-[3-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide | CAS Registry Number: 936091-56-4
Synonyms: SureCN266638, AGN-PC-014TTV, cc-107, RS0110, AKOS005259273, EX-8666, NCGC00345845-01, KB-75262, Benzenesulfonamide,N-(1,1-dimethylethyl)-3-[[5-methyl-2-[[3-(4-morpholinylmethyl)phenyl]amino]-4-pyrimidinyl]amino]-, N-tert-butyl-3-(5-methyl-2-(3-(morpholinomethyl)phenylamino)pyrimidin-4-ylamino)benzenesulfonamide

Molecular Formula: C26H34N6O3SMolecular Weight: 510.651560 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 9

InChIKey: OOSKXASFJFSOBK-UHFFFAOYSA-N

• N-(1,1-Dimethylethyl)-3-[[5-methyl-2-[[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]amino]-4-pyrimidinyl]amino]benzenesulfonamide
IUPAC Name: N-tert-butyl-3-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]benzenesulfonamide | CAS Registry Number: 936091-26-8
Synonyms: Tg-101348, TG101348, TG 101348, SAR-302503, 936091-26-8 pound not TG101348 pound not TG 101348, N-tert-butyl-3-{[5-methyl-2-({4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]amino}benzenesulfonamide, Fedratinib, 2TA, cc-67, SureCN263741, AGN-PC-014TOD, UNII-6L1XP550I6, TG101348 HCl, CHEMBL1287853, CHEBI:814243, MolPort-019-879-133, ABP000705, DCL001017, RS0112, AKOS015842621

Molecular Formula: C27H36N6O3SMolecular Weight: 524.678140 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 9

InChIKey: JOOXLOJCABQBSG-UHFFFAOYSA-N

• N-(1,3-Benzodioxol-5-Ylmethyl)-4-Benzofuro[3,2-D]pyrimidin-4-Yl-1-Piperazinecarbothioamide
IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperazine-1-carbothioamide | CAS Registry Number: 850879-09-3
Synonyms: Amuvatinib, MP470, MP-470, MP 470, MP470, MP-470, HPK56, N-(benzo[d][1,3]dioxol-5-ylmethyl)-4-(benzofuro[3,2-d]pyrimidin-4-yl)piperazine-1-carbothioamide, S1244_Selleck, PubChem22479, Amuvatinib (USAN/INN), Amuvatinib [USAN:INN], UNII-SO9S6QZB4R, AGN-PC-005XUY, cc-525, CHEMBL2103851, BCPP000157, HMS3244A11, HMS3244A12, HMS3244B11, Amuvatinib (MP-470, HPK 56)

Molecular Formula: C23H21N5O3SMolecular Weight: 447.509540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: FOFDIMHVKGYHRU-UHFFFAOYSA-N

• N-(2-(1-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamido)ethyl)-6-(2,2,2-trifluoroethoxy)nicotinamide
IUPAC Name: N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide | CAS Registry Number: 1003576-00-8
Synonyms: CHEMBL1092385, CHEBI:721907, AK-54621, 6-(2,2,2-Trifluoroethoxy)-N-[2-[[[1-phenyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]carbonyl]amino]ethyl]nicotinamide

Molecular Formula: C21H17F6N5O3Molecular Weight: 501.381799 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 11

InChIKey: QQBSDNDBBQAJAF-UHFFFAOYSA-N

• N-(2-Aminophenyl)-4-([[4-(pyridin-3-yl)pyrimidin-2-yl]amino]methyl)benzamide
IUPAC Name: N-(2-aminophenyl)-4-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]benzamide | CAS Registry Number: 726169-73-9
Synonyms: Mocetinostat, nchembio.313-comp18, UNII-A6GWB8T96J, MGCD-0103, MGCD0103, MGCD 0103, CHEBI:534834, MG0103, MG4230, MG4915, MG5206, CID9865515, MG 0103, MG 4230, MG 4915, MG 5026, MG-0103, MG-4230, MG-4915, MG-5026

Molecular Formula: C23H20N6OMolecular Weight: 396.444500 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: HRNLUBSXIHFDHP-UHFFFAOYSA-N

• N-(2-Aminospiro[3.3]hept-6-yl)carbamic acid tert-butyl ester
IUPAC Name: tert-butyl N-(6-aminospiro[3.3]heptan-2-yl)carbamate | CAS Registry Number: 1239589-52-6
Synonyms: tert-butyl 6-aminospiro[3.3]hept-2-ylcarbamate, tert-butyl N-{6-aminospiro[3.3]heptan-2-yl}carbamate, TERT-BUTYL N-(6-AMINOSPIRO[3.3]HEPTAN-2-YL)CARBAMATE, AC1Q1NBI, CTK7D5987, MolPort-005-312-890, AKOS009132679, AG-B-52529, PB18965, RP07600, KB-61322, AM20070579, FT-0686007, EN300-29519, TERT-BUTYL (6-AMINOSPIRO[3.3]HEPTAN-2-YL)CARBAMATE, TERT-BUTYL N-(2-AMINOSPIRO[3.3]HEPTAN-6-YL)CARBAMATE, (6-AMINOSPIRO[3.3]HEPT-2-YL)CARBAMIC ACID TERT-BUTYL ESTER, 1239589-52-6 2-(tert-butoxycarbonyl)amino-6-aminospiro[3.3]heptane

Molecular Formula: C12H22N2O2Molecular Weight: 226.315280 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: XVXPJMGYUOYFOT-UHFFFAOYSA-N

• N-(2-Chlorophenyl)-4-(2-(4-(2-(4-Ethylpiperazin-1-Yl)-2-Oxoethyl)Phenylamino)-5-Fluoropyrimidin-4-Ylamino)Benzamide
IUPAC Name: N-(2-chlorophenyl)-4-[[2-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]anilino]-5-fluoropyrimidin-4-yl]amino]benzamide | CAS Registry Number: 1158838-45-9
Synonyms: Aurora A Inhibitor I, N-(2-Chlorophenyl)-4-((2-((4-(2-(4-ethylpiperazin-1-yl)-2-oxoethyl)phenyl)amino)-5-fluoropyrimidin-4-yl)amino)benzamide, N-(2-chlorophenyl)-4-{[2-({4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]phenyl}amino)-5-fluoropyrimidin-4-yl]amino}benzamide, S1451_Selleck, 2,4-Bisanilinopyrimidine, 10, CHEMBL502124, CTK4A9531, BCPP000376, HMS3265K21, HMS3265K22, HMS3265L21, HMS3265L22, ANW-58929, AKOS015995069, AG-L-19476, BCP9000341, CS-0011, NCGC00346525-01, AK-56791, Aurora A inhibitor I|1158838-45-9

Molecular Formula: C31H31ClFN7O2Molecular Weight: 588.074943 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 8

InChIKey: AKSIZPIFQAYJGF-UHFFFAOYSA-N

• N-(3-Chlorophenyl)-N'-[5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-2-thiazolyl]urea
IUPAC Name: 1-(3-chlorophenyl)-3-[5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl]urea | CAS Registry Number: 1057249-41-8
Synonyms: Kinome_3712, SN-314, DB07361, CHEMBL518051, 1-(3-Chlorophenyl)-3-{5-[2-(Thieno[3,2-D]pyrimidin-4-Ylamino)ethyl]-1,3-Thiazol-2-Yl}urea, SNS 314, AK2, 1-(3-chlorophenyl)-3-[5-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-1,3-thiazol-2-yl]urea, UNII-802IFJ0Z8X, CTK4A4045, HMS3244O17, HMS3244O18, HMS3244P17, SNS 314;, ABP000119, DCL000006, AG-I-03470, NCGC00242482-01, Urea, N-(3-chlorophenyl)-N'-(5-(2-(thieno(3,2-d)pyrimidin-4-ylamino)ethyl)-2-thiazolyl)-, Urea,N-(3-chlorophenyl)-N'-[5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-2-thiazolyl]-

Molecular Formula: C18H15ClN6OS2Molecular Weight: 430.934300 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: FAYAUAZLLLJJGH-UHFFFAOYSA-N

• N-(3-fluoro-4-(2-(1-methyl-1H-imidazol-4-yl)thieno[3,2-b]pyridin-7-yloxy)phenylcarbamothioyl)-2-phenylacetamide
IUPAC Name: N-[[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]carbamothioyl]-2-phenylacetamide | CAS Registry Number: 875337-44-3
Synonyms: MGCD-265, MGCD265, MGCD 265, MGCD265, MGCD-265, MGCD265, MGCD-265, n-(3-fluoro-4-(2-(1-methyl-1h-imidazol-4-yl)thieno(3,2-b)pyridin-7-yloxy)phenylcarbamothioyl)-2-phenylacetamide, S1361_Selleck, cc-38, CHEMBL254760, BCPP000164, AKOS015904513, BCP9000924, CS-0188, RL05449, MGCD-265-Supplied by Selleck Chemicals, NCGC00346510-01, HY-10991, KB-55721, thieno[3,2-b]pyridine-based inhibitor, 10a, X7487

Molecular Formula: C26H20FN5O2S2Molecular Weight: 517.597703 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: UFICVEHDQUKCEA-UHFFFAOYSA-N

• N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide
IUPAC Name: 4-[(2,6-dichlorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide | CAS Registry Number: 844442-38-2
Synonyms: AT7519, AT-7519, AT 7519, N-(4-Piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H-pyrazole-3-carboxamide, 4-(2,6-dichlorobenzamido)-N-(piperidin-4-yl)-1H-pyrazole-3-carboxamide, PubChem22418, SureCN955568, UNII-X1BF92PW9T, cc-301, MolPort-016-633-226, BCPP000381, HMS3265A09, HMS3265A10, HMS3265B09, HMS3265B10, ABP000847, AT7519-Supplied by Selleck Chemicals, BCP9000335, CS-0017, RL05190

Molecular Formula: C16H17Cl2N5O2Molecular Weight: 382.244480 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 4

InChIKey: OVPNQJVDAFNBDN-UHFFFAOYSA-N

• N-(5-amino-2-methylphenyl)-4-(3-pyridyl)-2-pyrimidineamine
IUPAC Name: 4-methyl-3-N-(4-pyridin-3-ylpyrimidin-2-yl)benzene-1,3-diamine | CAS Registry Number: 152460-10-1
Synonyms: N-(5-Amino-2-methylphenyl)-4-(3-pyridyl)-2-pyrimidineamine, F9995-0188, 4-Methyl-N3-(4-phenylpyrimidine-2-yl)benzene-1,3-diamine, N-(5-Amino-2-methylphenyl)-4-(3-pridyl)-2-pyrimidineamine, 4-methyl-n'-(4-(pyridin-3-yl)pyrimidin-2-yl)benzene-1,3-diamine, 4-Methyl-N'-[4-(pyridin-3-yl)pyrimidin-2-yl]benzene-1,3-diamine, zlchem 1354, PubChem18212, SureCN2392, ACMC-209d7r, KSC174K2P, BEN021, CHEMBL278103, Jsp002938, CTK0H4527, ZLE0132, CHEBI:124728, MolPort-003-889-278, ACN-S002009, ACT04895

Molecular Formula: C16H15N5Molecular Weight: 277.323800 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: QGAIPGVQJVGBIA-UHFFFAOYSA-N

• N-[(1R)-1-(Aminomethyl)-2-[(3S)-tetrahydro-2H-pyran-3-yl]ethyl]-N-methylcarbamic acid tert-butyl est
IUPAC Name: tert-butyl N-[(2R)-1-amino-3-[(3S)-oxan-3-yl]propan-2-yl]-N-methylcarbamate | CAS Registry Number: 1093865-09-8
Synonyms: tert-Butyl ((R)-1-amino-3-((S)-tetrahydro-2H-pyran-3-yl)propan-2-yl)(methyl)carbamate, SCHEMBL8077145, AKOS022186255, AK144313, AJ-138087, 1,1-dimethylethyl {(1R)-2-amino-1-[(3S)-tetrahydro-2H-pyran-3-ylmethyl]ethyl}methylcarbamate

Molecular Formula: C14H28N2O3Molecular Weight: 272.383720 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: MXNWARAWBOJCJF-NWDGAFQWSA-N

• N-[1-(2,2-DIMETHYL-1,3-DIOXOLAN-4-YL)-2-[[4-[4-(TRIFLUOROMETHOXY)PHENOXY]PHENYL]SULFONYL]ETHYL]-N-HYDROXYFORMAMIDE,(1S,4'S)-FORM
IUPAC Name: N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylethyl]-N-hydroxyformamide | CAS Registry Number: 286845-00-9
Synonyms: CHEMBL2115165, UNII-7S00622N3Z, ABT 518, ABT-518

Molecular Formula: C21H22F3NO8SMolecular Weight: 505.461490 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 11

InChIKey: IVPPTWCRAFCOFJ-RTBURBONSA-N

• N-[2-(1H-Indol-3-yl)ethyl]-N'-(4-pyridinyl)-1,4-benzenediamine
IUPAC Name: 1-N-[2-(1H-indol-3-yl)ethyl]-4-N-pyridin-4-ylbenzene-1,4-diamine | CAS Registry Number: 881202-45-5
Synonyms: Serdemetan, JNJ 26854165, N1-(2-(1H-Indol-3-yl)ethyl)-N4-(pyridin-4-yl)benzene-1,4-diamine, JNJ-26854165, Serdemetan, JNJ 26854165, 881202-45-5, JNJ26854165, Serdemetan, JNJ 26854165, n-(2-(1h-indol-3-yl)ethyl)-n'-(4-pyridinyl)-1,4-benzenediamine, N-[2-(1H-INDOL-3-YL)ETHYL]-N'-(4-PYRIDINYL)-1,4-BENZENEDIAMINE, Serdemetan [INN], S1172_Selleck, AGN-PC-00CLKV, UNII-ID6YB4W3V8, SureCN3012498, cc-450, CHEMBL2137530, CTK8C1936, JNJ-26854165 (Serdemetan), ANW-67474, QC-534, AKOS016006774

Molecular Formula: C21H20N4Molecular Weight: 328.410300 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: CEGSUKYESLWKJP-UHFFFAOYSA-N

• N-[2-[(1S,4R)-6-[[4-(cyclobutylamino)-5-(trifluoromethyl)-2-pyrimidinyl]amino]-1,2,3,4-tetrahydronaphthalen-1,4-imin-9-yl]-2-oxoethyl]Acetamide
Synonyms: PF-03814735, PF-3814735, PF03814735, PF 03814735, Kinome_1769, cc-272, DCL001076, KB-74441, BCP0726000114, 942490-07-5, Acetamide,N-[2-[6-[[4-(cyclobutylamino)-5-(trifluoromethyl)-2-pyrimidinyl]amino]-1,2,3,4-tetrahydronaphthalen-1,4-imin-9-yl]-2-oxoethyl]-, N-[2-(4-{[4-(cyclobutylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-11-azatricyclo[6.2.1.0^{2,7}]undeca-2(7),3,5-trien-11-yl)-2-oxoethyl]acetamide

Molecular Formula: C23H25F3N6O2Molecular Weight: 474.478810 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 9

InChIKey: RYYNGWLOYLRZLK-UHFFFAOYSA-N

• N-[2-[[(2,3-difluorophenyl)methyl]thio]-6-[[(1R,2R)-2,3-dihydroxy-1-methylpropyl]amino]-4-pyrimidinyl]-1-Azetidinesulfonamide
IUPAC Name: N-[2-[(2,3-difluorophenyl)methylsulfanyl]-6-[[(2R,3R)-3,4-dihydroxybutan-2-yl]amino]pyrimidin-4-yl]azetidine-1-sulfonamide | CAS Registry Number: 1204707-71-0
Synonyms: SRT3109, SureCN3180319, cc-200, SRT 3109, SRT-3109, CS-0977, RL00854, HY-15462, Y0301, SRT3109|1204707-71-0|SRT-3109, N-[2-[[(2,3-Difluorophenyl)methyl]thio]-6-[[(1R,2R)-2,3-dihydroxy-1-methylpropyl]amino]-4-pyrimidinyl]-1-azetidinesulfonamide

Molecular Formula: C18H23F2N5O4S2Molecular Weight: 475.533126 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 12

InChIKey: QVKPEMXUBULFBM-RISCZKNCSA-N

• N-[2-Chloro-4-[(6,7-Dimethoxy-4-Quinolyl)oxy]phenyl]-N'-(5-Methyl-3-Isoxazolyl)urea
IUPAC Name: 1-[2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea | CAS Registry Number: 475108-18-0
Synonyms: Tivozanib, AV 951, AV-951, AV951, KRN-951, N-[2-CHLORO-4-[(6,7-DIMETHOXY-4-QUINOLYL)OXY]PHENYL]-N'-(5-METHYL-3-ISOXAZOLYL)UREA, AV-951(Tivozanib), AV951, AV-951, 475108-18-0, Tivozanib, AV951, AV-951, Vascular Endothelial Growth Factor Receptor Tyrosine Kinase Inhibitor IV, 1-(2-CHLORO-4-(6,7-DIMETHOXYQUINOLIN-4-YLOXY)PHENYL)-3-(5-METHYLISOXAZOL-3-YL)UREA, N-(2-Chloro-4-((6,7-dimethoxy-4-quinolyl)oxy)phenyl)-N′-(5-methyl-3-isoxazolyl)urea, VEGFR Tyrosine Kinase Inhibitor IV, 4ase, N-(2-Chloro-4-((6,7-dimethoxy-4-quinolyl)oxy)phenyl)-N'-(5-methyl-3-isoxazolyl)urea, Urea, N-(2-chloro-4-((6,7-dimethoxy-4-quinolinyl)oxy)phenyl)-N'-(5-methyl-3-isoxazolyl)-, UREA, N-[2-CHLORO-4-[(6,7-DIMETHOXY-4-QUINOLINYL)OXY]PHENYL]-N'-(5-METHYL-3-ISOXAZOLYL)-, AV-951,Tivozanib, S1207_Selleck, PubChem22421

Molecular Formula: C22H19ClN4O5Molecular Weight: 454.863060 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: SPMVMDHWKHCIDT-UHFFFAOYSA-N

• N-[3-[(5-Chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl]-1-propanesulfonamide
IUPAC Name: N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide | CAS Registry Number: 918505-84-7
Synonyms: PLX4720, PLX-4720, PLX 4720, N-(3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl)propane-1-sulfonamide, PLX 4720, PLX-4720, 918505-84-7, PLX4720, PLX-4720, N-(3-{5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl}-2,4-difluorophenyl)propane-1-sulfonamide, S1152_Selleck, PubChem19346, 3c4c, cc-4, UNII-EQY31RO8HA, SureCN133733, CHEMBL1230020, CTK5H0564, HMS3244C03, HMS3244C04, HMS3244D03, HMS3265I09, HMS3265I10

Molecular Formula: C17H14ClF2N3O3SMolecular Weight: 413.826166 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: YZDJQTHVDDOVHR-UHFFFAOYSA-N

• N-[4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino)-2-Butenamide
IUPAC Name: (E)-N-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide | CAS Registry Number: 326894-84-2
Synonyms: Pelitinib, EKB-569, 257933-82-7, WAY-EKB 569, EKB 569, EKB569, CHEBI:38927, EKB-569, WAY-EKB 569, 257933-82-7, EKB-569, WAY-EKB 569, Pelitinib, (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxyquinolin-6-yl}-4-(dimethylamino)but-2-enamide, (E)-N-(4-(3-chloro-4-fluorophenylamino)-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide, (2E)-N-(4-((3-Chloro-4-fluorophenyl)amino)-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide, S1392_Selleck, Pelitinib (USAN/INN), Pelitinib [USAN:INN], SureCN93756, Pelitinib - EKB-569, 2-Butenamide, (E)-,, cc-21, AC1O62UE

Molecular Formula: C24H23ClFN5O2Molecular Weight: 467.923123 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: WVUNYSQLFKLYNI-AATRIKPKSA-N

• N-[4-[(3-Chloro-4-fluorophenyl)amino]-7-[[(3S)-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]-4-(dimethylamino)-2-butenamide
IUPAC Name: (E)-N-[4-(3-chloro-4-fluoroanilino)-7-[(3S)-oxolan-3-yl]oxyquinazolin-6-yl]-4-(dimethylamino)but-2-enamide | CAS Registry Number: 439081-18-2
Synonyms: Tovok, BIBW-2992, BIBW 2992, CID10184653, CID 10184653, 2-Butenamide, N-(4-((3-chloro-4-fluorophenyl)amino)-7-(((3S)-tetrahydro-3-furanyl)oxy)-6-quinazolinyl)-4-(dimethylamino)-, 915958-11-1

Molecular Formula: C24H25ClFN5O3Molecular Weight: 485.938403 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: ULXXDDBFHOBEHA-CWDCEQMOSA-N

• N-[4-[[4-(dimethylamino)-1-piperidinyl]carbonyl]phenyl]-N'-[4-(4,6-di-4-morpholinyl-1,3,5-triazin-2-yl)phenyl]Urea
IUPAC Name: 1-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-3-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]urea | CAS Registry Number: 1197160-78-3
Synonyms: PKI-587, PKI587, PKI 587, 1-(4-(4-(Dimethylamino)piperidine-1-carbonyl)phenyl)-3-(4-(4,6-dimorpholino-1,3,5-triazin-2-yl)phenyl)urea, N-[4-[[4-(Dimethylamino)-1-piperidinyl]carbonyl]phenyl]-N'-[4-[4,6-di(4-morpholinyl)-1,3,5-triazin-2-yl]phenyl]urea, S2628_Selleck, PubChem19144, SureCN32393, cc-54, UNII-96265TNH2R, CHEMBL592445, QCR-208, CHEBI:696528, MolPort-009-194-127, AKOS005766013, CS-0449, FE-0013, PK 1587, RL00769, HY-10681

Molecular Formula: C32H41N9O4Molecular Weight: 615.725840 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 10

InChIKey: DWZAEMINVBZMHQ-UHFFFAOYSA-N

• N-[4-[[6-Methoxy-7-[3-(4-morpholinyl)propoxy]-4-quinazolinyl]amino]phenyl]benzamide
IUPAC Name: N-[4-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenyl]benzamide | CAS Registry Number: 331771-20-1
Synonyms: ZM-447439, ZM447439, N-[4-[[6-METHOXY-7-[3-(4-MORPHOLINYL)PROPOXY]-4-QUINAZOLINYL]AMINO]PHENYL]BENZAMIDE, ZM 447439, TCMDC-125873, AG-F-11633, ZM 447439, ZM447439, 331771-20-1, ZM447439, ZM-447439, S1103_Selleck, Kinome_3319, NCGC00159574-01, PubChem24158, cc-90, SureCN597105, UNII-RSN3P9776R, CHEMBL202721, CTK4H0102, BCPP000002, HMS3269E21, ABP000121

Molecular Formula: C29H31N5O4Molecular Weight: 513.587540 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: OGNYUTNQZVRGMN-UHFFFAOYSA-N

• N-[5-[[[5-(1,1-Dimethylethyl)-2-oxazolyl]methyl]thio]-2-thiazolyl]-4-piperidinecarboxamide
IUPAC Name: N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide | CAS Registry Number: 345627-80-7
Synonyms: BMS-387032, SNS-032, BMS-387072, CID3025986, LS-186036, N-(5-(((5-(1,1-Dimethylethyl)-2-oxazolyl)methyl)thio)-2-thiazolyl)-4-piperidinecarboxamide, 4-Piperidinecarboxamide, N-(5-(((5-(1,1-dimethylethyl)-2-oxazolyl)methyl)thio)-2-thiazolyl)-

Molecular Formula: C17H24N4O2S2Molecular Weight: 380.528060 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: OUSFTKFNBAZUKL-UHFFFAOYSA-N

• N-[trans-4-[4-(Cyclopropylmethyl)-1-piperazinyl]cyclohexyl]-4-[[(7R)-7-ethyl-5,6,7,8-tetrahydro-5-me
IUPAC Name: N-[4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl]-4-[[(7R)-7-ethyl-5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl]amino]-3-methoxybenzamide | CAS Registry Number: 755038-65-4
Synonyms: Volasertib, BI 6727, BI-6727, Volasertib (USAN), Volasertib [USAN], BI6727, BI6727, Volasertib,, Benzamide, N-(trans-4-(4-(cyclopropylmethyl)-1-piperazinyl)cyclohexyl)-4-(((7R)-7-ethyl-5,6,7,8-tetrahydro-5-methyl-8-(1-methylethyl)-6-oxo-2-pteridinyl)amino)-3-methoxy-, BENZAMIDE, N-[TRANS-4-[4-(CYCLOPROPYLMETHYL)-1-PIPERAZINYL]CYCLOHEXYL]-4-[[(7R)-7-ETHYL-5,6,7,8-TETRAHYDRO-5-METHYL-8-(1-METHYLETHYL)-6-OXO-2-PTERIDINYL]AMINO]-3-METHOXY-, BI6727,Volasertib, S2235_Selleck, Volasertib [USAN:INN], BI6727 - Volasertib, SureCN738946, BI 6727 (Volasertib), SureCN2169101, SureCN9888052, cc-629, UNII-6EM57086EA, CHEMBL1233528

Molecular Formula: C34H50N8O3Molecular Weight: 618.812600 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 9

InChIKey: SXNJFOWDRLKDSF-XKHVUIRMSA-N

• N-{2-[(4-HYDROXYPHENYL)AMINO](PYRIDIN-3-YL)}-4-METHOXYBENZENESULFONAMIDE
IUPAC Name: N-[2-(4-hydroxyanilino)pyridin-3-yl]-4-methoxybenzenesulfonamide | CAS Registry Number: 141430-65-1
Synonyms: ABT-751, ABT751, ABT 751, CHEBI:124217, E-7010, NSC742134, CID3035714, E 7010, LS-31613, E7010, Benzenesulfonamide, N-(2-((4-hydroxyphenyl)amino)-3-pyridinyl)-4-methoxy-, N-(2-((4-Hydroxyphenyl)amino)-3-pyridinyl)-4-methoxybenzenesulfonamide, N-(2-(4-hydroxyphenylamino)pyridin-3-yl)-4-methoxybenzenesulfonamide, N-[2-(4-Hydroxy-phenylamino)-pyridin-3-yl]-4-methoxy-benzenesulfonamide, N-[2-[(4-hydroxyphenyl)amino]-3-pyridinyl]-4-methoxybenzenesulfonamide, 857447-92-8, E70

Molecular Formula: C18H17N3O4SMolecular Weight: 371.410280 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: URCVCIZFVQDVPM-UHFFFAOYSA-N

• N-4-Boc-2-piperazinecarboxylic acid methyl ester
IUPAC Name: 1-O-tert-butyl 3-O-methyl (3R)-piperazin-4-ium-1,3-dicarboxylate | CAS Registry Number: 129799-08-2
Synonyms: ZINC04202276

Molecular Formula: C11H21N2O4+Molecular Weight: 245.295440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: QUKAHFCVKNRRBU-MRVPVSSYSA-O

• N-BOC-3A,4,7,7A-TETRAHYDROISOINDOLE
IUPAC Name: tert-butyl 1,3,3a,4,7,7a-hexahydroisoindole-2-carboxylate | CAS Registry Number: 474925-37-6
Synonyms: 1241675-29-5, tert-Butyl 3a,4,7,7a-tetrahydro-1H-isoindole-2(3H)-carboxylate, tert-butyl 1,3,3a,4,7,7a-hexahydro-2H-isoindole-2-carboxylate, SCHEMBL1425575, CTK8B9904, MolPort-009-200-601, ALBB-014723, ANW-63506, AKOS005174540, AK-80311, KB-260431, TC-152251, tert-butyl 1,3,3a,4,7,7a-hexahydroisoindole-2-carboxylate

Molecular Formula: C13H21NO2Molecular Weight: 223.311340 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: BQRMVHVRBBRSOH-UHFFFAOYSA-N

• N-Boc-4-Amino Piperidine
IUPAC Name: [1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanium | CAS Registry Number: 87120-72-7
Synonyms: ZINC04202304, CID7128317

Molecular Formula: C10H21N2O2+Molecular Weight: 201.285940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: LZRDHSFPLUWYAX-UHFFFAOYSA-O

• N-Methyl-N-[2-[[[2-[(2-Oxo-2,3-Dihydro-1H-Indol-5-Yl)amino]-5-Trifluoromethylpyrimidin-4-Yl]amino]methyl]phenyl]methanesulfonamide
IUPAC Name: N-methyl-N-[2-[[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide | CAS Registry Number: 717906-29-1
Synonyms: PF-431396, PF 431396, PF431396, N-METHYL-N-[2-[[[2-[(2-OXO-2,3-DIHYDRO-1H-INDOL-5-YL)AMINO]-5-TRIFLUOROMETHYLPYRIMIDIN-4-YL]AMINO]METHYL]PHENYL]METHANESULFONAMIDE, 3fzr, AGN-PC-00CDNA, SureCN3144824, cc-292, CHEMBL472212, CTK8E6512, CHEBI:552650, BCPP000115, HMS3244D04, HMS3244D08, HMS3244D12, ABP000510, RS0084, CCG-221509, CS-0250, EN002867

Molecular Formula: C22H21F3N6O3SMolecular Weight: 506.500750 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 11

InChIKey: POJZIZBONPAWIV-UHFFFAOYSA-N

• N-Methyl-N-[3-[[[2-[(2-Oxo-2,3-Dihydro-1H-Indol-5-Yl)amino]-5-Trifluoromethylpyrimidin-4-Yl]amino]methyl]pyridin-2-Yl]methanesulfonamide
IUPAC Name: N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pyridin-2-yl]methanesulfonamide | CAS Registry Number: 717907-75-0
Synonyms: PF-562271, PF 562271, PF-00562271, 717907-75-0, PF00562271, PF 00562271, N-METHYL-N-[3-[[[2-[(2-OXO-2,3-DIHYDRO-1H-INDOL-5-YL)AMINO]-5-TRIFLUOROMETHYLPYRIMIDIN-4-YL]AMINO]METHYL]PYRIDIN-2-YL]METHANESULFONAMIDE, N-methyl-N-(3-((2-(2-oxoindolin-5-ylamino)-5-(trifluoromethyl)pyrimidin-4-ylamino)methyl)pyridin-2-yl)methanesulfonamide benzenesulfonate, N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pyridin-2-yl]methanesulfonamide, N-methyl-N-{3-[({2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)methyl]pyridin-2-yl}methanesulfonamide, Kinome_3857, 3bz3, AGN-PC-00ENC7, SureCN1206959, CHEMBL1084546, CTK2H5401, CHEBI:730975, MolPort-016-631-879, BCPP000114, HMS3244K07, HMS3244K08, HMS3244L07

Molecular Formula: C21H20F3N7O3SMolecular Weight: 507.488810 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 12

InChIKey: MZDKLVOWGIOKTN-UHFFFAOYSA-N

• NBI-42902
IUPAC Name: 3-[(2R)-2-amino-2-phenylethyl]-1-[(2,6-difluorophenyl)methyl]-5-(2-fluoro-3-methoxyphenyl)-6-methylpyrimidine-2,4-dione | CAS Registry Number: 352290-60-9
Synonyms: UNII-3FWQ4MD98O, SureCN5758034, CHEMBL179691, CHEBI:399187, DNC004857, NBI 42902, [3H]NBI-49202, KB-138000, 1-(2,6-difluorobenzyl)-3-[(2R)-amino-2-phenethyl]-5-(3-methoxyphenyl)-6-methyluracil, 1-(2,6-difluorobenzyl)-3-[(2R)-amino-2-phenethyl]-5-(2-fluoro-3-methoxyphenyl)-6-methyluracil, 1-(2,6-difluorobenzyl)-3-[(2R)-amino-2-phenethyl]-5-(2-fluoro-3-methoxyphenyl)-6-methyluracil., 2,4(1H,3H)-Pyrimidinedione, 3-((2R)-2-amino-2-phenylethyl)-1-((2,6-difluorophenyl)methyl)-5-(2-fluoro-3-methoxyphenyl)-6-methyl-, 3-(2-amino-2-phenylethyl)-1-[(2,6-difluorophenyl)methyl]-5-(2-fluoro-3-methoxyphenyl)-6-methylpyrimidine-2,4-dione, 3-[(2R)-2-amino-2-phenyl-ethyl]-1-[(2,6-difluorophenyl)methyl]-5-(2-fluoro-3-methoxy-phenyl)-6-methyl-pyrimidine-2,4-dione, 3-[(2R)-2-amino-2-phenylethyl]-1-[(2,6-difluorophenyl)methyl]-5-(2-fluoro-3-methoxyphenyl)-6-methylpyrimidine-2,4-dione, 3-[(2S)-2-amino-2-phenylethyl]-1-[(2,6-difluorophenyl)methyl]-5-(2-fluoro-3-methoxyphenyl)-6-methylpyrimidine-2,4-dione

Molecular Formula: C27H24F3N3O3Molecular Weight: 495.492970 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: CJUWBZDJMYYRDG-QFIPXVFZSA-N

• nelarabine
IUPAC Name: (3S,4S,5R)-2-(2-amino-6-methoxypurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol | CAS Registry Number: 121032-29-9
Synonyms: Nelarabine, Nelzarabine, Arranon, Nelarabine [USAN], Nelzarabine [USAN], GW 506U78, C11H15N5O5, 506U, 506U78, LS-172477, 9beta-D-Arabinofuranosyl-6-methoxy-9H-purin-2-amine, 9H-Purin-2-amine, 9beta-D-arabinofuranosyl-6-methyl-, 9-beta-D-Arabinofuranosyl-6-methoxy-9H-purin-2-amine, 2-Amino-9-beta-D-arabinofuranosyl-6-methoxy-9H-purine, U78

Molecular Formula: C11H15N5O5Molecular Weight: 297.267300 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 10

InChIKey: IXOXBSCIXZEQEQ-KBNQYOMWSA-N

• Neratinib
IUPAC Name: (E)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide | CAS Registry Number: 698387-09-6
Synonyms: HKI-272, HKI 272, Neratinib(HKI-272), Neratinib, HKI-272, 698387-09-6, HKI272, HKI 272, HKI-272,, (2E)-N-[4-[[3-chloro-4-[(pyridin-2-yl)methoxy]phenyl]amino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide, HKI272, S2150_Selleck, Neratinib HKI 272, PubChem22399, Neratinib (INN/USAN), UNII-JJH94R3PWB, Neratinib - HKI-272, cc-32, SureCN571762, JSPY-st000262, CHEMBL180022, QCR-104, CHEBI:399120, MolPort-006-069-389

Molecular Formula: C30H29ClN6O3Molecular Weight: 557.042660 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: JWNPDZNEKVCWMY-VQHVLOKHSA-N

• Nevirapine
Synonyms: nevirapine, Viramune, 1vrt, 2hny, Viramune (TN), Nevirapine [USAN:INN], Nevirapine+PRO 140, Nevirapine & CD4-IgG, BI-RG-587, Promeco Brand of Nevirapine, BIRG587, Nevirapine (JAN/USP/INN), BIRG 0587, HSDB 7164, MLS000084585, MLS000759409, MLS001055309, MLS001201730, BIRG 587, BIRG-587

Molecular Formula: C15H14N4OMolecular Weight: 266.297860 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: NQDJXKOVJZTUJA-UHFFFAOYSA-N

• Nilotinib
IUPAC Name: 4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide | CAS Registry Number: 641571-10-0
Synonyms: AMN107, AMN 107, CHEBI:52172, AMN-107, TL8004531, 4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide, 4-Methyl-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)-N-(5-(4-methyl-1H-imidazol-1-yl)-3-(trifluoromethyl)phenyl)benzamide, 4-Methyl-3-(4-(3-pyridinyl)-2-pyrimidinyl)amino)-N-[5-(4-methyl-1H-imidazol-1-yl)-3-(trifluoromethyl)phenyl]benzamide, 4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-N-[5-(4-methyl-1H-imidazol-1-yl)-3-(trifluoromethyl)phenyl]benzamide, Benzamide, 4-methyl-N-((3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-(4-(3-pyridinyl)-2-pyrimidinyl)amino)-, Benzamide, 4-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-(4-(3-pyridinyl)-2-pyrimidinyl)amino)-, benzamide, 4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-, Benzamide, 4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]- (9CI), NIL

Molecular Formula: C28H22F3N7OMolecular Weight: 529.515790 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 10

InChIKey: HHZIURLSWUIHRB-UHFFFAOYSA-N

• Nilutamide
IUPAC Name: 5,5-dimethyl-3-[4-nitro-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione | CAS Registry Number: 63612-50-0
Synonyms: nilutamide, Nilandron, Anandron, Nilandrone, Nilutamidum [Latin], Nilandron (TN), Nilutamida [Spanish], Spectrum_001625, Tocris-1759, SpecPlus_000902, Nilutamide (USAN/INN), Prestwick0_000928, Prestwick1_000928, Prestwick2_000928, Prestwick3_000928, Spectrum2_001973, Spectrum3_001633, Spectrum4_000600, Spectrum5_001512, Lopac-N-8534

Molecular Formula: C12H10F3N3O4Molecular Weight: 317.220710 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: XWXYUMMDTVBTOU-UHFFFAOYSA-N


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