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Profile: Shanghai APIs Chemical Co., Ltd. is specializes in manufacturer of API chemicals to various chemical induistries.

251 to 300 of 713 Products/Chemicals (Click for related suppliers)  Page: << Previous 50 Results 1 2 3 4 5 [6] 7 8 9 10 11 12 13 14 15 >> Next 50 Results
• 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-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-(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-[(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-[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-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

• Navitoclax
IUPAC Name: 4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylbenzamide | CAS Registry Number: 923564-51-6
Synonyms: ABT-263, ABT 263, CHEBI:608147, 1000696-69-4, 4-(4-{[2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-({4-({(1R)-3-morpholin-4-yl-1-[(phenylsulfanyl)methyl]propyl}amino)-3-[(trifluoromethyl)sulfonyl]phenyl}sulfonyl)benzamide, Benzamide, 4-(4-((2-(4-chlorophenyl)-5,5-dimethyl-1-cyclohexen-1-yl)methyl)-1-piperazinyl)-N-((4-(((1R)-3-(4-morpholinyl)-1-((phenylthio)methyl)propyl)amino)-3-((trifluoromethyl)sulfonyl)phenyl)sulfonyl)-

Molecular Formula: C47H55ClF3N5O6S3Molecular Weight: 974.612710 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 13

InChIKey: JLYAXFNOILIKPP-KXQOOQHDSA-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: 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

• Netupitant
IUPAC Name: 2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-yl]propanamide | CAS Registry Number: 290297-26-6
Synonyms: Netupitant (USAN/INN), Netupitant [USAN:INN], CHEBI:441603, CID6451149, D05152, 2-(3,5-bis(trifluoromethyl)phenyl)-N,2-dimethyl-N-(6-(4-methylpiperazin-1-yl)-4-o-tolylpyridin-3-yl)propanamide

Molecular Formula: C30H32F6N4OMolecular Weight: 578.591699 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 10

InChIKey: WAXQNWCZJDTGBU-UHFFFAOYSA-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

• Niraparib hydrochloride
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

• Nolatrexed
IUPAC Name: 2-amino-6-methyl-5-pyridin-4-ylsulfanyl-1H-quinazolin-4-one | CAS Registry Number: 147149-76-6
Synonyms: Nolatrexed [INN], AIDS157719, AIDS-157719, CID108189, NCGC00181023-01, NCI60_016753, NSC648316 (HYDROCHLORIDE SALT), LS-187627, 2-Amino-6-methyl-5-(4-pyridylthio)-4(3H)-quinazolinone., 2-Amino-6-methyl-5-(4-pyridinylthio)-4-quinazolinol hydrochloride

Molecular Formula: C14H12N4OSMolecular Weight: 284.336280 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: XHWRWCSCBDLOLM-UHFFFAOYSA-N

• Nolatrexed dihydrochloride
IUPAC Name: 2-amino-6-methyl-5-pyridin-4-ylsulfanyl-1H-quinazolin-4-one dihydrochloride | CAS Registry Number: 152946-68-4
Synonyms: Thymitaq, Nolatrexed, AG 337, AG-337, LS-186985, 2-Amino-6-methyl-5-(4-pyridinylthio)-4(1H)-quinazolinone dihydrochloride, 4(1H)-Quinazolinone, 2-amino-6-methyl-5-(4-pyridinylthio)-, dihydrochloride, 3,4-Dihydro-2-amino-6-methyl-4-oxo-5-(4-pyridylthio)quinazoline dihydrochloride

Molecular Formula: C14H14Cl2N4OSMolecular Weight: 357.258160 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 4

InChIKey: PJKVJJYMWOCLIJ-UHFFFAOYSA-N

• Norisoboldine
IUPAC Name: (6aS)-2,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1,9-diol | CAS Registry Number: 23599-69-1
Synonyms: NORISOBOLDINE, FT-0686668, X1194, (S)-2,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1,9-diol

Molecular Formula: C18H19NO4Molecular Weight: 313.347760 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: HORZNQYQXBFWNZ-LBPRGKRZSA-N

• Noscapine Base
IUPAC Name: (3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one | CAS Registry Number: 128-62-1
Synonyms: noscapine, alpha-Narcotine, Narcompren, Tusscapine, Narcosine, Noscopine, Terbenol, Opianin, Capval, .beta.-Narcotine, Noscapine (TN), (S,R)-Noscapine, Prestwick_959, NARCOTINE, Noscapine hydrchloride, Tocris-1697, Coscopin;Methoxyhydrastine, Prestwick0_000563, Prestwick1_000563, Prestwick2_000563

Molecular Formula: C22H23NO7Molecular Weight: 413.420520 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 8

InChIKey: AKNNEGZIBPJZJG-MSOLQXFVSA-N

• NVP-TAE 684
IUPAC Name: 5-chloro-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine | CAS Registry Number: 761439-42-3
Synonyms: NVP-TAE684, TAE684, TAE-684, 5-chloro-N4-(2-(isopropylsulfonyl)phenyl)-N2-(2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)phenyl)pyrimidine-2,4-diamine, TAE684, 761439-42-3, TAE684, NVP-TAE684, GUI, S1108_Selleck, Kinome_1205, PubChem16769, cc-17, SureCN282775, AGN-PC-00RX8K, NVP TAE684, UNII-EH1713MN4K, NVP TAE 684, NVT-TAE-684, CHEMBL509032, TAE 684, CHEBI:547450

Molecular Formula: C30H40ClN7O3SMolecular Weight: 614.201700 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 10

InChIKey: QQWUGDVOUVUTOY-UHFFFAOYSA-N

• Obatoclax Mesylate
IUPAC Name: 2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indole;methanesulfonic acid | CAS Registry Number: 803712-79-0
Synonyms: Obatoclax mesylate, ACT06786

Molecular Formula: C21H23N3O4SMolecular Weight: 413.490020 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: ZVAGBRFUYHSUHA-RKMKAUCSSA-N

• Olaparib
IUPAC Name: 4-[[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one | CAS Registry Number: 763113-22-0
Synonyms: AZD 2281, AZD-2281, AZD2281, KU-0059436, S1060_Selleck, Acylpiperazine analogue, 47, 1-(Cyclopropylcarbonyl)-4-[5-[(3,4-dihydro-4-oxo-1-phthalazinyl)methyl]-2-fluorobenzoyl]piperazine, CHEMBL521686, AKOS005145764, 937799-91-2, AZD2281(olaparib), EN002690, KU-59436, KU0059436, FT-0083489, 4-(3-(4-(Cyclopropanecarbonyl)piperazine-1-carbonyl)-4-fluorobenzyl)phthalazin-1(2H)-one, Olaparib, KU-0059436, AZD2281, KU0059436, AZD2281, 4-[3-(4-Cyclopropanecarbonyl-piperazine-1-carbonyl)-4-fluoro-benzyl]-2H-phthalazin-1-one, 4-[(3-{[4-Cyclopropylcarbonyl)piperazin-4-yl]carbonyl}-4-fluorophenyl)methyl]phtalazin-1(2H)-one, OLAPARIB cpd

Molecular Formula: C24H23FN4O3Molecular Weight: 434.462823 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: FDLYAMZZIXQODN-UHFFFAOYSA-N

• ON-01910
IUPAC Name: sodium;2-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]anilino]acetate | CAS Registry Number: 1225497-78-8
Synonyms: Novonex, Estybon, Rigosertib sodium, Estybon, ON-01910, ON 01910, Estybon, ON-01910, 1225497-78-8, 592542-60-4, S1362_Selleck, Rigosertib sodium (USAN), ON 01910 sodium salt, cc-628, ON-1910Na, Onc-01910, CHEMBL2013119, ON-01910Na, SyB C-1101, SyB L-1101, MolPort-016-633-202, ON 01910.Na, BCP9001024

Molecular Formula: C21H24NNaO8SMolecular Weight: 473.471929 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 9

InChIKey: VLQLUZFVFXYXQE-USRGLUTNSA-M

• Orantinib
IUPAC Name: 3-[2,4-dimethyl-5-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid | CAS Registry Number: 252916-29-3
Synonyms: TSU68, TSU 68, SU6668, CID5995546, NSC 702827, SU 6668, SU-6668, 3-(4-(2-Carboxyethyl)-3,5-dimethylpyrrol-2-methylidenyl)-2-indolinone, 3-(2,4-Dimethyl-5-(2-oxo-1,2-dihydroindol-3-ylidenemethyl)-1H-pyrrol-3-yl)propionic acid, 1H-Pyrrole-3-propanoic acid, 5-((1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl)-2,4-dimethyl-, 245036-27-5, 3-(2,4-Dimethyl-5-((2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl)-1H-pyrrol-3-yl)propionic acid, 3-{2,4-dimethyl-5-[(E)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl}propanoic acid, 5-((1,2-Dihydro-2-oxo-3H-indol-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3-propanoic acid

Molecular Formula: C18H18N2O3Molecular Weight: 310.347120 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: NHFDRBXTEDBWCZ-NTEUORMPSA-N

• Paclitaxel
Synonyms: paclitaxel, Yewtaxan, TAXOL, Plaxicel, Paxceed, Taxol A, Abraxane, Ebetaxel, Capxol, Paxene, Onxol, TaxAlbin, LipoPac, Genetaxyl, Nanotaxel, Paclical, Pacligel, Anzatax, Genaxol, Genexol

Molecular Formula: C47H51NO14Molecular Weight: 853.906140 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 14

InChIKey: RCINICONZNJXQF-MZXODVADSA-N

• Palbociclib
IUPAC Name: 6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrido[2,3-d]pyrimidin-7-one | CAS Registry Number: 571190-30-2
Synonyms: 2euf, CHEBI:419858, CID5330286, PD-0332991, PD-332991, PD0332991, PD 0332991, LQQ, 6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-yl-pyridin-2-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-one, 6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-ylpyridin-2-ylamino)-8H-pyrido(2,3-d)pyrimidin-7-one, 6-ACETYL-8-CYCLOPENTYL-5-METHYL-2-[(5-PIPERAZIN-1-YLPYRIDIN-2-YL)AMINO]PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE, Pyrido(2,3-d)pyrimidin-7(8H)-one, 6-acetyl-8-cyclopentyl-5-methyl-2-((5-(1-piperazinyl)-2-pyridinyl)amino)-

Molecular Formula: C24H29N7O2Molecular Weight: 447.532760 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: AHJRHEGDXFFMBM-UHFFFAOYSA-N

• Palonosetron hydrochloride
Synonyms: Aloxi, Palonosetron Hydrochloride [USAN], CID178148, RS 25259-197, LS-186534, 1H-Benz(de)isoquinolin-1-one, 2-(3S)-1-azabicyclo(2.2.2)oct-3-yl-2,3,3a,4,5,6-hexahydro-, monohydrochloride, (3aS)-, (3aS)-2,3,3a,4,5,6-Hexahydro-2-((3S)-3-quinuclidinyl)-1H-benz(de)isoquinolin-1-one monohydrochloride

Molecular Formula: C19H25ClN2OMolecular Weight: 332.867600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: OLDRWYVIKMSFFB-KPVRICSOSA-N

• Panobinostat
IUPAC Name: (E)-N-hydroxy-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide | CAS Registry Number: 404950-80-7
Synonyms: Faridak, LBH-589, NVP-LBH-589, LBH-589B, LBH589, LBH 589, ZINC22010649, CID6918837, 2-Propenamide, N-hydroxy-3-(4-(((2-(2-methyl-1H-indol-3-yl)ethyl)amino)methyl)phenyl)-, (2E)-

Molecular Formula: C21H23N3O2Molecular Weight: 349.426220 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 3

InChIKey: FPOHNWQLNRZRFC-ZHACJKMWSA-N

• PD153035
IUPAC Name: N-(3-bromophenyl)-6,7-dimethoxyquinazolin-4-amine | CAS Registry Number: 153436-54-5
Synonyms: N-(3-bromophenyl)-6,7-dimethoxyquinazolin-4-amine, Compound 32, PD-153035, PD 153035 HYDROCHLORIDE, pd 153035, InSolution™ PD 153035, AG 1517, SU 5271, 4-[(3-Bromophenyl)amino]-6,7-dimethoxyquinazoline, 4-(3-BROMOANILINO)-6,7-DIMETHOXYQUINAZOLINE, 4-QUINAZOLINAMINE, N-(3-BROMOPHENYL)-6,7-DIMETHOXY-, PubChem22449, Tocris-1037, SureCN9423, AC1L1IRP, UNII-TC62B68RSL, AC1Q26CE, CHEMBL29197, WHI-P 79, LSPANGZZENHZNJ-UHFFFAOYSA-

Molecular Formula: C16H14BrN3O2Molecular Weight: 360.205260 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: LSPANGZZENHZNJ-UHFFFAOYSA-N

• PD98059
IUPAC Name: 2-(2-amino-3-methoxyphenyl)chromen-4-one | CAS Registry Number: 167869-21-8
Synonyms: Tocris-1213, Lopac-P-215, BiomolKI_000001, BiomolKI2_000011, P215_SIGMA, Lopac0_001028, BSPBio_000996, KBioGR_000336, KBioSS_000336, PD 98059, BCBcMAP01_000049, KBio2_000336, KBio2_002904, KBio2_005472, KBio3_000671, KBio3_000672, BIP0711, CID4713, PD 98,059, AIDS220091

Molecular Formula: C16H13NO3Molecular Weight: 267.279320 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: QFWCYNPOPKQOKV-UHFFFAOYSA-N

• Pelitinib
IUPAC Name: (E)-N-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide | CAS Registry Number: 257933-82-7
Synonyms: EKB-569, Pelitinib (USAN/INN), WAY-EKB 569, WAY-EKB-569, CHEBI:38927, EKB 569, NSC729742, CID6445562, WAY-172569, D05399, (2E)-N-(4-((3-chloro-4-fluorophenyl)amino)-3-cyano-7-ethoxy-6-quinolinyl)-4-(dimethylamino)-2-butenamide, (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-fluoroanilino)-cyano-7-ethoxyquinolin-6-yl]-4-(dimethlyamino)but-2-enamide,, 2-Butenamide, N-(4-((3-chloro-4-fluorophenyl)amino)-3-cyano-7-ethoxy-6-quinolinyl)-4-(dimethylamino)-, (2E)-, 2-Butenamide, N-[4-(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxy-6-quinolinyl-4-(dimethylamino)-, (E)-,, 4-Dimethylaminobut-2-enoic Acid, [4-(3-Chloro-4-fluoro phenylamino)-3-cyano-7-ethoxyquinoline-6-yl]amide

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

InChIKey: WVUNYSQLFKLYNI-AATRIKPKSA-N

• Pemetrexed
IUPAC Name: (2R)-2-[[4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioic acid | CAS Registry Number: 137281-23-3
Synonyms: Alimta, Pemetrexed disodium, Pemetrexed [INN:BAN], UNII-04Q9AIZ7NO, HSDB 7316, C20H21N5O6, CID60843, LY231514, DB00642, LY 231514, LY 231,514, LS-172988, LY-231514, LY-231,514, L-Glutamic acid, N-(4-(2-(2-amino-4,7-dihydro-4-oxo-1H-pyrrolo(2,3-d)pyrimidin-5-yl)ethyl)benzoyl)-, N-(4-(2-(2-Amino-3,4-dihydro-4-oxo-7H-pyrrolo(2,3-d)pyrimdin-5-yl)ethyl)benzoyl)glutamic acid, (2R)-2-[[4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[4,5-e]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioic acid, MTA

Molecular Formula: C20H21N5O6Molecular Weight: 427.410640 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 8

InChIKey: WBXPDJSOTKVWSJ-CYBMUJFWSA-N

• Pemetrexed disodium
IUPAC Name: (2S)-2-[[4-[2-[2-amino-4-oxo-7-(phenylmethyl)-1H-pyrrolo[2,3-d]pyrimidin-5-yl]ethyl]benzoyl]amino]pentanedioic acid | CAS Registry Number: 150399-23-8
Synonyms: AIDS096718, AIDS-096718, NCGC00164627-01, LY231514, N-[4-[2-(2-amino-4,7-dihydro-4-oxo-1H-pyrimidin-5-yl)ethyl]benzoyl]-glutamic acid

Molecular Formula: C27H27N5O6Molecular Weight: 517.533180 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 9

InChIKey: RXMOUCBSRHJOCG-FQEVSTJZSA-N

• Peramivir
IUPAC Name: (1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-4-(diaminomethylideneamino)-2-hydroxycyclopentane-1-carboxylic acid | CAS Registry Number: 330600-85-6
Synonyms: Rapiacta, BCX-1812, CHEBI:328354, AIDS114230, RWJ-270201, AIDS-114230, CID154234, S-021812, BCZ, 3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID, 229614-56-6, Cyclopentanecarboxylic acid, 3-((1R)-1-(acetylamino)-2-ethylbutyl)-4-((aminoiminomethyl)amino)-2-hydroxy-, (1R,2R,3S,4S)-rel-, Cyclopentanecarboxylic acid, 3-[(1S)-1-(acetylamino)-2-ethylbutyl]-4-[(aminoiminomethyl)amino]-2-hydroxy-, (1S,2S,3R,4R)-

Molecular Formula: C15H28N4O4Molecular Weight: 328.407220 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 7

InChIKey: XRQDFNLINLXZLB-CKIKVBCHSA-N

• Perindopril erbumine
IUPAC Name: (2S,3aS,7aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxopentan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid; 2-methylpropan-2-amine | CAS Registry Number: 107133-36-8
Synonyms: ACEON, PERINDOPRIL ERBUMINE, PERINDOPRIL, Aceon (TN), Perindopril tert-butylamine, Perindopril erbumine [USAN], SPECTRUM1505212, CHEBI:8025, Perindopril erbumine (JAN/USAN), C19H32N2O5.C4H11N, CID441313, McN-A-2833-109, NCGC00178276-01, LS-82690, TL8000252, C07707, D00624, S-9490-3, (2S,3aS,7aS)-1-((S)-N-((S)-1-Carboxybutyl)alanyl)hexahydro-2-indolinecarboxylic acid, 1-ethyl ester, compound with tert-butylamine (1:1), (2S,3(infinity)S,7(infinity)S)-1-[(S)-N-[(S)-1-Carboxybutyl]alanyl]hexahydro-2-indolinecarboxylic acid, 1-ethyl ester, compound with tert-butylamine (1:1)

Molecular Formula: C23H43N3O5Molecular Weight: 441.604620 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: IYNMDWMQHSMDDE-MHXJNQAMSA-N

• Pevonedistat
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: MLN4924, KB-78921

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

InChIKey: MPUQHZXIXSTTDU-LPISGYMPSA-N

• PF 03716556
IUPAC Name: N-(2-hydroxyethyl)-N,2-dimethyl-8-[[(4R)-5-methyl-3,4-dihydro-2H-chromen-4-yl]amino]imidazo[1,2-a]pyridine-6-carboxamide | CAS Registry Number: 928774-43-0
Synonyms: PF 3716556, PF-3716556, PF03716556, PF3716556,PF-3716556, PF-03716556, 928774-43-0, ABP000709, CS-0412, NCGC00346889-01, HY-13100, KB-79858, PF3716556, Y0299, PF-03716556, PF 03716556|928774-43-0|PF03716556, (R)-N-(2-hydroxyethyl)-N,2-dimethyl-8-(5-methylchroman-4-ylamino)imidazo[1,2-a]pyridine-6-carboxamide, N-(2-hydroxyethyl)-N,2-dimethyl-8-{[(4R)-5-methyl-3,4-dihydro-2H-1-benzopyran-4-yl]amino}imidazo[1,2-a]pyridine-6-carboxamide

Molecular Formula: C22H26N4O3Molecular Weight: 394.466840 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: YBHKBMJREUZHOV-QGZVFWFLSA-N

• PF-04217903
IUPAC Name: 2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol | CAS Registry Number: 956905-27-4
Synonyms: PF 04217903, CHEMBL2001019, PF04217903, aka PF-04217903, PF04217903, 956905-27-4, 1159490-85-3, PF-04217903, PF04217903, 3zxz, 2-(4-(1-(Quinolin-6-ylmethyl)-1H-(1,2,3)triazolo(4,5-b)pyrazin-6-yl)-1H-pyrazol-1-yl)ethanol, 2-(4-(1-(quinolin-6-ylmethyl)-1H-[1,2,3]triazolo[4,5-b]pyrazin-6-yl)-1H-pyrazol-1-yl)ethanol, S1094_Selleck, Kinome_3829, PubChem19150, PubChem22335, UNII-CYJ9ATV1IJ, SureCN93550, AGN-PC-01LTWA, cc-599, QCR-189, MolPort-016-633-176

Molecular Formula: C19H16N8OMolecular Weight: 372.383340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: PDMUGYOXRHVNMO-UHFFFAOYSA-N

• PF-431396
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, 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, HY-10460

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

InChIKey: POJZIZBONPAWIV-UHFFFAOYSA-N

• PF-562271
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-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, HMS3265M11

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

InChIKey: MZDKLVOWGIOKTN-UHFFFAOYSA-N

• PH-797804
IUPAC Name: 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxopyridin-1-yl]-N,4-dimethylbenzamide | CAS Registry Number: 586379-66-0
Synonyms: PH 797804, PH797804, 3-(3-Bromo-4-((2,4-difluorobenzyl)oxy)-6-methyl-2-oxopyridin-1(2H)-yl)-N,4-dimethylbenzamide, 586379-66-0 pound not PH797804 pound not PH 797804, 3-{3-Bromo-4-[(2,4-Difluorobenzyl)oxy]-6-Methyl-2-Oxopyridin-1(2h)-Yl}-N,4-Dimethylbenzamide, 3hll, Kinome_3761, cc-53, SureCN2015676, UNII-SI09I1V827, CHEMBL1088751, CTK8C3874, CHEBI:719399, MolPort-021-804-991, BCPP000113, ANW-70744, AKOS016007727, CS-0465, DB07941, PHA-797804

Molecular Formula: C22H19BrF2N2O3Molecular Weight: 477.298666 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: KCAJXIDMCNPGHZ-UHFFFAOYSA-N

• PHA-665752
IUPAC Name: (3Z)-5-[(2,6-dichlorophenyl)methylsulfonyl]-3-[[3,5-dimethyl-4-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one | CAS Registry Number: 477575-56-7
Synonyms: PHA665752, PHA 665752, TCMDC-125885, (2R)-1-[[5-[(Z)-[5-[[(2,6-DICHLOROPHENYL)METHYL]SULFONYL]-1,2-DIHYDRO-2-OXO-3H-INDOL-3-YLIDENE]METHYL]-2,4-DIMETHYL-1H-PYRROL-3-YL]CARBONYL]-2-(1-PYRROLIDINYLMETHYL)PYRROLIDINE, (R,Z)-5-(2,6-dichlorobenzylsulfonyl)-3-((3,5-dimethyl-4-(2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl)-1H-pyrrol-2-yl)methylene)indolin-2-one, PHA665752, PHA-665752, S1070_Selleck, SureCN93654, cc-47, UNII-0VXU5T5R3J, CHEMBL450786, CHEBI:547415, MolPort-021-804-992, BCPP000112, HMS3269N19, ABP000082, AKOS015896678, CS-0137, QC-7247, RL03780

Molecular Formula: C32H34Cl2N4O4SMolecular Weight: 641.607760 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: OYONTEXKYJZFHA-SSHUPFPWSA-N

• PI-103
IUPAC Name: 3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin-2-yl)phenol | CAS Registry Number: 371935-74-9
Synonyms: PI103, PI 103, 3-(4-morpholinopyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl)phenol, 3-(4-(4-Morpholinyl)pyrido[3′,2′:4,5]furo[3,2-d]pyrimidin-2-yl)phenol, 3-(4-Morpholin-4-Ylpyrido[3',2':4,5]furo[3,2-D]pyrimidin-2-Yl)phenol, 3-[4-Morpholin-4-ylpyrido[3',2':4,5]furo[3,2-d]pyriMidin-2-yl]phenol, X6K, S1038_Selleck, Kinome_3597, 2x6k, cc-5, SureCN258242, UNII-YQX02F616F, CHEMBL573339, CTK8F1083, PIK-103, QCR-256, MolPort-009-019-225, pyridofuropyrimidine derivative, 2, BCPP000107

Molecular Formula: C19H16N4O3Molecular Weight: 348.355340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: TUVCWJQQGGETHL-UHFFFAOYSA-N

• Picoprazole
IUPAC Name: methyl 6-methyl-2-[(3-methylpyridin-2-yl)methylsulfinyl]-1H-benzimidazole-5-carboxylate | CAS Registry Number: 78090-11-6
Synonyms: Picoprazol, Picoprazolum, Picoprazole (INN), Picoprazol [INN-Spanish], Picoprazolum [INN-Latin], CID71223, D05901, H-149/94, Methyl 6-methyl-2-(((3-methyl-2-pyridyl)methyl)sulfinyl)-5-benzimidazolecarboxylate, 1H-Benzimidazole-5-carboxylic acid, 6-methyl-2-(((3-methyl-2-pyridinyl)methyl)sulfinyl)-, methyl ester

Molecular Formula: C17H17N3O3SMolecular Weight: 343.400180 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: ASSMECARUIRCML-UHFFFAOYSA-N

• Pictilisib
IUPAC Name: 4-[2-(1H-indazol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine | CAS Registry Number: 957054-30-7
Synonyms: GDC-0941, GDC0941, GDC 0941, Pictrelisib, S1065_Selleck, Kinome_3719, CHEMBL521851, 4-(2-(1H-Indazol-4-yl)-6-((4-(methylsulfonyl)piperazin-1-yl)methyl)thieno[3,2-d]pyrimidin-4-yl)morpholine, CHEBI:65326, GDC-0941, GDC0941, 2-(1H-Indazol-4-yl)-6-(4-methanesulfonylpiperazin-1-ylmethyl)-4-morpholin-4-yl-thieno[3,2-d]pyrimidine, 4-[2-(1H-indazol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine, GD9, 2-(1h-Indazol-4-Yl)-6-{[4-(Methylsulfonyl)piperazin-1-Yl]methyl}-4-Morpholin-4-Yl-Thieno[3,2-D]pyrimidine, 4-(2-(1H-indazol-4-yl)-6-((4-(methylsulfonyl)piperazin-1-yl)methyl)thieno(3,2-d)pyrimidin-4-yl)morpholine, Pictrelisib [INN], Pictilisib (USAN), PICTILISIB, PubChem16427, nchembio.293-comp12

Molecular Formula: C23H27N7O3S2Molecular Weight: 513.635580 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 10

InChIKey: LHNIIDJUOCFXAP-UHFFFAOYSA-N


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