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Shanghai Yingxuan Chempharm Co., Ltd.

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Address: Shanghai Jiao Tong University(SJTU) Jin Qiao Science Park,No.2588,Jinhai Road,Pudong New District, Shanghai, Pudong 201209, China
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Profile: Shanghai Yingxuan Chempharm Co., Ltd. is a manufacturer of glyco-compounds, heterocyclic compounds, amino acids, peptides, alkaloids, and various drug intermediates.

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• LY294002
IUPAC Name: 2-morpholin-4-yl-8-phenylchromen-4-one | CAS Registry Number: 154447-36-6
Synonyms: nchembio790-comp36, Tocris-1130, 1yi3, BiomolKI_000029, Lopac-L-9908, BiomolKI2_000037, LY 294002, CBiol_002046, Lopac0_000710, BSPBio_001223, KBioGR_000563, KBioSS_000563, LY-294,002 hydrochloride, 2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one, BCBcMAP01_000117, KBio2_000563, KBio2_003131, KBio2_005699, KBio3_001005, KBio3_001006

Molecular Formula: C19H17NO3Molecular Weight: 307.343180 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: CZQHHVNHHHRRDU-UHFFFAOYSA-N

• Mangiferin
IUPAC Name: 1,3,6,7-tetrahydroxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one | CAS Registry Number: 4773-96-0
Synonyms: Chinomin, Alpizarine, Alpizarin, Aphloiol, Chinoinin, Hedysarid, M3547_SIGMA, CHEBI:6682, Mangiferin Mangifera indica bark, BCBcMAP01_000240, AIDS073319, AIDS-073319, NSC248870, SMP1_000290, C10077, 1,3,6,7-tetrahydroxyxanthone C2-beta-D-glucoside, 2-beta-D-glucopyranosyl-1,3,6,7-tetrahydroxy-9H-xanthen-9-one, 9H-Xanthen-9-one, 2-.beta.-D-glucopyranosyl-1,3,6,7-tetrahydroxy-, (1S)-1,5-anhydro-1-(1,3,6,7-tetrahydroxy-9-oxo-9H-xanthen-2-yl)-D-glucitol

Molecular Formula: C19H18O11Molecular Weight: 422.339620 [g/mol]
H-Bond Donor: 8H-Bond Acceptor: 11

InChIKey: AEDDIBAIWPIIBD-ZJKJAXBQSA-N

• Maraviroc
IUPAC Name: 4,4-difluoro-N-[(1S)-3-[(1R,5S)-3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide | CAS Registry Number: 376348-65-1
Synonyms: Selzentry, Celsentri, Maraviroc [USAN], PRO 140+Maraviroc, AIDS104834, AIDS415067, AIDS-104834, AIDS-415067, UK-427,857, CID3002977, DB04835, UK 427857, UK-427857, LS-182818, Cyclohexanecarboxamide, 4,4-difluoro-N-((1S)-3-((3-exo)-3-(3-methyl-5-(1-methylethyl)-4H-1,2,4-triazol-4-yl)-8-azabicyclo(3.2.1)oct-8-yl)-1-phenylpropyl)-, 4,4-difluoro-N-[(1S)-3-[(1R,5S)-3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide, 674782-29-7, exo-4,4-Difluoro-N-[3-[3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]oct-8-yl]-1(S)-phenylpropyl]cyclohexanecarboxamide, Isopropyl, 4,4-difluoro-N-((1S)-3-{(1R,3s,5S)-3-(3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl)-8-azabicyclo(3.2.1)octan-8-yl}-1-phenylpropyl)cyclohexanecarboxamide, MVC

Molecular Formula: C29H41F2N5OMolecular Weight: 513.665546 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: GSNHKUDZZFZSJB-HLMSNRGBSA-N

• Masitinib
IUPAC Name: 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide | CAS Registry Number: 790299-79-5
Synonyms: Masivet, AB1010, AB-1010, AB 1010, CHEMBL1908391, CHEBI:63450, AB1010, Masivet, Masitinib, 4-[(4-Methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-thiazolyl]amino]phenyl]benzamide, N-(4-methyl-3-(4-(pyridin-3-yl)thiazol-2-ylamino)phenyl)-4-((4-methylpiperazin-1-yl)methyl)benzamide, Masitinib (INN), 4-((4-Methylpiperazin-1-yl)methyl)-N-(4-methyl-3-((4-(pyridin-3-yl)-1,3-thiazol-2-yl)amino)phenyl)benzamide, 4-[(4-methylpiperazin-1-yl)methyl]-N-(4-methyl-3-{[4-(pyridin-3-yl)-1,3-thiazol-2-yl]amino}phenyl)benzamide, S1064_Selleck, UNII-M59NC4E26P, cc-179, CTK8E8465, HMS3244J04, HMS3244J08, HMS3244J12, ABP000249

Molecular Formula: C28H30N6OSMolecular Weight: 498.642400 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: WJEOLQLKVOPQFV-UHFFFAOYSA-N

• Maslinic acid
IUPAC Name: (4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid | CAS Registry Number: 4373-41-5
Synonyms: Crategolic acid, Crataegolic acid, CHEBI:438843, AIDS087536, AIDS-087536, CID73659, EMD-1176098, Olean-12-en-28-oic acid, 2,3-dihydroxy-, (2alpha,3beta)-, Olean-12-en-28-oic acid, 2,3-dihydroxy-, (2.alpha.,3.beta.)-, (4aS,6aS,6bR,8aR,10R,11R,12aR,12bR,14bS)-10,11-Dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-2H-picene-4a-carboxylic acid

Molecular Formula: C30H48O4Molecular Weight: 472.699720 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: MDZKJHQSJHYOHJ-LLICELPBSA-N

• Maxacalcitol
IUPAC Name: (1R,3S,5Z)-5-[(2E)-2-[(1S,3aS,7aS)-1-[(1S)-1-(3-hydroxy-3-methylbutoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol | CAS Registry Number: 103909-75-7
Synonyms: Prezios, Oxarol, 22-Oxacalcitriol, 22-oxa-calcitriol, Prezios (TN), Oxarol (TN), Maxacalcitol [USAN], Sch 209579, Maxacalcitol (JAN/USAN/INN), 1,25-Dihydroxy-22-oxavitamin D3, 22-Oxa-1,25-dihydroxyvitamin D3, Sch-209579, C26H42O4, MC 1275, 22-Oxa-1,25(OH)2D3, LMST03020060, ZINC04474617, CID6398761, MC-1275, 1alpha,25-Dihydroxy-22-oxavitamin D3

Molecular Formula: C26H42O4Molecular Weight: 418.609280 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: DTXXSJZBSTYZKE-ZDQKKZTESA-N

• Mebhydrolin napadisylate
IUPAC Name: 5-benzyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole; naphthalene-1,5-disulfonic acid | CAS Registry Number: 6153-33-9
Synonyms: Diazoline, Diazolinum, Diazolin, Incidal, Omeril, Fabahistin, Mebhydrolin napadisilate, Prestwick_605, Mebhydrolin napadisilate (JAN), EINECS 228-170-3, Mebhydroline 1,5-naphtalenedisulfonate, mebhydroline 1,5-naphthalenedisulfonate, 2C19H20N2.C10H8O6S2, Mebhydroline 1,5-naphthalenedisulfonate salt, NCGC00017059-01, LS-94672, CAS-6153-33-9, C13254, D01786, 1,5-Naphthalenedisulfonic acid, compd. with 2,3,4,5-tetrahydro-2-methyl-5-(phenylmethyl)-1H-pyrido(4,3-b)indole (1:2)

Molecular Formula: C48H48N4O6S2Molecular Weight: 841.047920 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 10

InChIKey: CJUOSBUQOWKEKJ-UHFFFAOYSA-N

• Mecamylamine hydrochloride
IUPAC Name: N,5,6,6-tetramethylbicyclo[2.2.1]heptan-5-amine hydrochloride | CAS Registry Number: 826-39-1
Synonyms: Inversine, Mevasin, Inversene, Mevasine, Mekamin hydrochloride, Inversine (TN), Mecamine hydrochloride, MECAMYLAMINE HYDROCHLORIDE, ATG-3, C11H21N.HCl, M9020_SIGMA, EINECS 212-555-8, Mecamylamine hydrochloride (USP), AGI-004, ATG-003, 3-Methylaminoisocamphane hydrochloride, 3-Methylaminoisokamfan chlorid [Czech], N-Methyl-dl-isobornylamine hydrochloride, ASA 185/13, 2-(Methylamino)isocamphane hydrochloride

Molecular Formula: C11H22ClNMolecular Weight: 203.752080 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: PKVZBNCYEICAQP-UHFFFAOYSA-N

• Mechlorethamine hydrochloride
IUPAC Name: 2-chloro-N-(2-chloroethyl)-N-methylethanamine hydrochloride | CAS Registry Number: 55-86-7
Synonyms: Chlorethamine, Chlormethinum, Stickstofflost, Azotoyperite, Caryolysine, Chloramin, Dichloren, Embikhine, Mustargen, Embichin, Mitoxine, Dimitan, Erasol, Nitol, Dema, Nitol takeda, Embiquine, Erasol-Ido, Zagreb, Pliva

Molecular Formula: C5H12Cl3NMolecular Weight: 192.514480 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: QZIQJVCYUQZDIR-UHFFFAOYSA-N

• Melphalan
IUPAC Name: (2S)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid | CAS Registry Number: 148-82-3
Synonyms: melphalan, Alkeran, Levopholan, Sarcolysine, Sarkolysin, Levofalan, Levofolan, Medphalan, Melfalan, Mephalan, Merphalan, L-Sarcolysine, L-Sarcolysin, L-Sarkolysin, p-L-sarcolysine, p-L-Sarcolysin, Phenylalanine mustard, L-Phenylalanine mustard, Prestwick_1006, L-PAM

Molecular Formula: C13H18Cl2N2O2Molecular Weight: 305.200220 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: SGDBTWWWUNNDEQ-LBPRGKRZSA-N

• Mezlocillin Sodium (Sterile)
IUPAC Name: sodium (2S,5R,6R)-3,3-dimethyl-6-[[(2R)-2-[(3-methylsulfonyl-2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate | CAS Registry Number: 59798-30-0
Synonyms: MEZLOCILLIN SODIUM, Mezlocillin sodium (USP), CHEBI:52067, CID441241, D05022, sodium (2S,5R,6R)-3,3-dimethyl-6-{[(2R)-2-({[3-(methylsulfonyl)-2-oxoimidazolidin-1-yl]carbonyl}amino)-2-phenylacetyl]amino}-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate, sodium 6beta-{(2R)-2-[3-(methanesulfonyl)-2-oxoimidazolidine-1-carboxamido]-2-phenylacetamido}-2,2-dimethylpenam-3alpha-carboxylate, sodium 6beta-{(2R)-2-[3-(methanesulfonyl)-2-oxoimidazolidine-1-carboxamido]-2-phenylacetamido}penicillanate

Molecular Formula: C21H24N5NaO8S2Molecular Weight: 561.563730 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: GTGQRSIMEUWHPA-ZBJAFUORSA-M

• MGCD-265 analog
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, 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

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

InChIKey: UFICVEHDQUKCEA-UHFFFAOYSA-N

• Micafungin
Synonyms: Micafungin [INN], UNII-R10H71BSWG, CHEBI:473847, CID3081921, DB01141, LS-184079, Pneumocandin A0, 1-((4R,5R)-4,5-dihydroxy-N2-(4-(5-(4-(pentyloxy)phenyl)-3-isoxazolyl)benzoyl]-L-ornithine)-4-((4S)-4-hydroxy-4-(4-hydroxy-3-(sulfooxy)phenyl)-L-threonine)-

Molecular Formula: C56H71N9O23SMolecular Weight: 1270.274440 [g/mol]
H-Bond Donor: 16H-Bond Acceptor: 24

InChIKey: PIEUQSKUWLMALL-UHFFFAOYSA-N

• Mildronate
IUPAC Name: 3-[(trimethylazaniumyl)amino]propanoate | CAS Registry Number: 76144-81-5
Synonyms: Meldonium, Kvaterin, Quaterin, Meldonium [INN], 3-(2,2,2-trimethylhydrazine)propionate, BRN 3938272, CID123868, CPD-10661, 3-(2,2,2-Trimethyldiazaniumyl)propanoate, NCGC00164538-01, LS-77004, ST5437598, TL8006664, 2-(2-Carboxyethyl)-1,1,1-trimethylhydrazinium hydroxide inner salt, Hydrazinium, 2-(2-carboxyethyl)-1,1,1-trimethyl-, hydroxide, inner salt, ThP

Molecular Formula: C6H14N2O2Molecular Weight: 146.187560 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: PVBQYTCFVWZSJK-UHFFFAOYSA-N

• MINODRONATE
IUPAC Name: (1-hydroxy-2-imidazo[1,2-a]pyridin-3-yl-1-phosphonoethyl)phosphonic acid | CAS Registry Number: 127657-42-5
Synonyms: Minodronate, Minodronic acid, bisphosphonate, 57, UNII-40SGR63TGL, CHEBI:261549, MolPort-005-942-449, AIDS257702, AIDS-257702, CID130956, NSC725590, YH 529, YM 529, YM-529, (1-Hydroxy-2-imidazo[1,2-a]pyridin-3-yl-1-ethyl)-1,1-bisphos phonate, (1-hydroxy-2-imidazo[1,2-a]pyridin-3-yl-1-ethylidene)-1,1-bisphosphonate, Phosphonic acid, (1-hydroxy-2-imidazo(1,2-a)pyridin-3-ylethylidene)bis-, Phosphonic acid, (1-hydroxy-2-imidazo[1,2-a]pyridin-3-ylethylidene)bis-, (1-Hydroxy-2-(imidazo(1,2-a)-pyridin-3-yl)ethylidene)bisphosphonic acid monohydrate, (1-Hydroxy-2-imidazo[1,2-a]pyridin-3-yl-1-phosphono-ethyl)-phosphonic acid, (1-Hydroxy-2-imidazo[1,2-a]pyridin-3-yl-1-phosphono-ethyl)-phosphonic acid(mindronate)

Molecular Formula: C9H12N2O7P2Molecular Weight: 322.148302 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 8

InChIKey: VMMKGHQPQIEGSQ-UHFFFAOYSA-N

• Misoprostol acid
IUPAC Name: 7-[(1R,2R,3R)-3-hydroxy-2-[(E)-4-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl]heptanoic acid | CAS Registry Number: 112137-89-0
Synonyms: Misoprostol free acid, SC 30695, 15-Deoxy-16-hydroxy-16-methylprostaglandin E1, 7-[(1R,2R,3R)-3-hydroxy-2-[(E)-4-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl]heptanoic acid, AC1O5LLW, SureCN3694237, BSPBio_001418, misoprostol (free acid form), M6932_SIGMA, MISOPROSTOL, FREE ACID, BML2-B06, HMS1361G20, HMS1791G20, HMS1989G20, IDI1_033888, NCGC00161305-01, NCGC00161305-02, NCGC00161305-03, FT-0672418, Misoprostol Acid (10 mg in 1 mL Methyl Acetate)

Molecular Formula: C21H36O5Molecular Weight: 368.507540 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: CNWGPXZGIIOYDL-MKYGPDKMSA-N

• MK-2206 dihydrochloride
IUPAC Name: 8-[4-(1-aminocyclobutyl)phenyl]-9-phenyl-2H-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-one;dihydrochloride | CAS Registry Number: 1032350-13-2
Synonyms: MK2206, MK-2206, MK 2206, MK-2206, MK 2206, 1032350-13-2, MK2206, MK-2206, S1078_Selleck, PubChem22473, cc-295, AKOS015966903, RL00152, MK-2206-Supplied by Selleck Chemicals, HY-10358, KB-55052, X7427, MK 2206|1032350-13-2|MK-2206|MK2206, 8-(4-(1-aminocyclobutyl)phenyl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3(2H)-one, 8-[4-(1-aminocyclobutyl)phenyl]-9-phenyl-2H-[1,2,4]triazolo[3,4-f]1,6-naphthyridin-3-one dihydrochloride

Molecular Formula: C25H23Cl2N5OMolecular Weight: 480.389020 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 4

InChIKey: HWUHTJIKQZZBRA-UHFFFAOYSA-N

• Molsidomine
IUPAC Name: 1-ethoxy-N-(3-morpholin-4-yloxadiazol-3-ium-5-yl)methanimidate | CAS Registry Number: 25717-80-0
Synonyms: molsidomine, Molsidolat, Corvaton, morsydomine, Motazomin, Morial, Molsidomin, Sydnopharm, Korvatone, Prestwick_863, Molsidominum [INN-Latin], Molsidomina [INN-Spanish], Prestwick3_000547, Lopac-M-2901, SIN-10, BSPBio_000593, MLS000028573, MLS001146942, MLS002153869, SPECTRUM1500673

Molecular Formula: C9H14N4O4Molecular Weight: 242.231860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 7

InChIKey: XLFWDASMENKTKL-UHFFFAOYSA-N

• Monocrotaline
Synonyms: monocrotaline, Monocrotalin, Crotaline, Testosterone oenanthate, Prestwick_338, Pyrrolizidine alkaloid, Spectrum_001224, Prestwick0_000603, Prestwick1_000603, Prestwick2_000603, Prestwick3_000603, Spectrum2_000906, Spectrum3_000947, Spectrum4_001057, Spectrum5_001233, CCRIS 416, BSPBio_000506, KBioGR_001354, KBioSS_001704, HSDB 3513

Molecular Formula: C16H23NO6Molecular Weight: 325.356920 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: QVCMHGGNRFRMAD-XFGHUUIASA-N

• Motesanib
IUPAC Name: N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide | CAS Registry Number: 453562-69-1
Synonyms: AMG 706, CHEBI:51098, AMG-706, D06678, N-(2,3-dihydro-3,3-dimethyl-1H-indol-6-yl)-2-((4-pyridinylmethyl)amino)-3-pyridinecarboxamide, N-(3,3-dimethyl-2,3-dihydro-1H-indol-6-yl)-2-[(pyridin-4-ylmethyl)amino]pyridine-3-carboxamide

Molecular Formula: C22H23N5OMolecular Weight: 373.450920 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: RAHBGWKEPAQNFF-UHFFFAOYSA-N

• Motesanib Diphosphate
IUPAC Name: N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide;phosphoric acid | CAS Registry Number: 857876-30-3
Synonyms: Motesanib diphosphate, AMG-706, S1032_Selleck, Motesanib diphosphate (USAN), Motesanib diphosphate [USAN], UNII-T6Q3060U91, AMG-706. Motesanib Diphosphate, AMG706, D08947, Motesanib phosphate (JAN), cc-524, motesanib; bis(phosphoric acid), CHEMBL2107357, MolPort-016-633-170, ABP000867, DCL000579, CS-0193, RL05311, HY-10229, FT-0672543

Molecular Formula: C22H29N5O9P2Molecular Weight: 569.441284 [g/mol]
H-Bond Donor: 9H-Bond Acceptor: 13

InChIKey: ONDPWWDPQDCQNJ-UHFFFAOYSA-N

• MY-5445
IUPAC Name: N-(3-chlorophenyl)-4-phenylphthalazin-1-amine | CAS Registry Number: 78351-75-4
Synonyms: Tocris-0432, SpecPlus_000807, Spectrum2_001820, Spectrum3_001763, BSPBio_001360, BSPBio_003225, KBioGR_000080, KBioSS_000080, DivK1c_006903, SPBio_001839, KBio1_001847, KBio2_000080, KBio2_002648, KBio2_005216, KBio3_000159, KBio3_000160, KBio3_002725, MY 5445, CID1348, CHEBI:296620

Molecular Formula: C20H14ClN3Molecular Weight: 331.798260 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: CEHQLKSLMFIHBF-UHFFFAOYSA-N

• Myricetin
IUPAC Name: 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one | CAS Registry Number: 529-44-2
Synonyms: myricetin, Cannabiscetin, Myricetol, Myricitin, Prestwick_342, Spectrum_001501, SpecPlus_000531, Prestwick0_000465, Prestwick1_000465, Prestwick2_000465, Prestwick3_000465, Spectrum4_001272, Spectrum5_000692, Lopac-M-6760, 3,3',4',5,5',7-Hexahydroxyflavone, 3,5,7,3',4',5'-Hexahydroxyflavone, CCRIS 5838, Lopac0_000740, BSPBio_000570, KBioGR_001884

Molecular Formula: C15H10O8Molecular Weight: 318.235100 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 8

InChIKey: IKMDFBPHZNJCSN-UHFFFAOYSA-N

• N'-[2-[2-(4-METHOXYPHENYL)VINYL]-4-QUINAZOLINYL]-N,N-DIMETHYL-1,3-PROPANEDIAMINE 2HCL
IUPAC Name: N-[2-[(E)-2-(4-methoxyphenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine | CAS Registry Number: 259199-65-0
Synonyms: CHEBI:411760, CP 31398, CP-31398, CID9950868, CP-31,398, C402665, N'-[2-[(E)-2-(4-methoxyphenyl)ethenyl]quinazolin-4-yl]-N,N-dimethyl-propane-1,3-diamine, N''-{2-[(E)-2-(4-Methoxy-phenyl)-vinyl]-quinazolin-4-yl}-N,N-dimethyl-propane-1,3-diamine

Molecular Formula: C22H26N4OMolecular Weight: 362.468040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: NIHSNFSFDGHHRG-SDNWHVSQSA-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

• Nadifloxacin
Synonyms: nadifloxacin, Acuatim, S-Nadifloxacin, Nadoxin, Nadixa, NDFX, Acuatim (TN), Nadifloxacine [INN-French], Nadifloxacinum [INN-Latin], Nadifloxacin (JAN/INN), Nadifloxacino [INN-Spanish], Opc 7251, Nadifloxacin [BAN:INN:JAN], OPC-7251, CCRIS 4066, MLS002154166, C19H21FN2O4, CHEBI:31889, NCGC00164620-01, SMR001233465

Molecular Formula: C19H21FN2O4Molecular Weight: 360.379443 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: JYJTVFIEFKZWCJ-UHFFFAOYSA-N

• Naratriptan
IUPAC Name: N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide | CAS Registry Number: 121679-13-8
Synonyms: naratriptan, Amerge, Colatan, Naramig, UNII-QX3KXL1ZA2, CID4440, CHEBI:7478, C17H25N3O2S, DB00952, NCGC00181786-01, LS-83062, C07792, N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide, 1H-Indole-5-ethanesulfonamide, N-methyl-3-(1-methyl-4-piperidinyl)-, N-methyl-2-(3-(1-methylpiperiden-4-yl)indole-5-yl)ethanesulfonamide, N-methyl-2-[3-(1-methyl-4-piperidyl)-1H-indol-5-yl]-ethanesulfonamide, InChI=1/C17H25N3O2S/c1-18-23(21,22)10-7-13-3-4-17-15(11-13)16(12-19-17)14-5-8-20(2)9-6-14/h3-4,11-12,14,18-19H,5-10H2,1-2H

Molecular Formula: C17H25N3O2SMolecular Weight: 335.464300 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: AMKVXSZCKVJAGH-UHFFFAOYSA-N

• Naringenin
IUPAC Name: (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one | CAS Registry Number: 480-41-1
Synonyms: naringenin, naringetol, pelargidanon, salipurpol, Naringenine, Salipurol, Asahina, (S)-Naringenin, (-)-Naringenin, flavanone naringenin, pelargidanon 1602, 4',5,7-Trihydroxyflavanone, NARINGENIN-CMPD, YSO1, Spectrum_000247, Spectrum2_000325, Spectrum3_000567, Spectrum4_000124, Spectrum5_001423, (-)-(2S)-Naringenin

Molecular Formula: C15H12O5Molecular Weight: 272.252780 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: FTVWIRXFELQLPI-ZDUSSCGKSA-N

• 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

• 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

• Nicaraven
IUPAC Name: N-[1-(pyridine-3-carbonylamino)propan-2-yl]pyridine-3-carboxamide | CAS Registry Number: 79455-30-4
Synonyms: Antevas, Nicaraven [INN], Nicaravenum [INN-Latin], N,N'-Propylenenicotinamide, 1,2-Bis(nicotinamido)propane, CCRIS 7280, N,N'-propylenebis(nicotinamide), STOCK2S-06610, (+-)-N,N'-Propylenedinicotinamide, C15H16N4O2, (+-)-N,N'-Propylenebis(nicotinamide), NCGC00160494-01, LS-130655, N,N'-(1-Methyl-1,2-ethanediyl)bis-3-pyridinecarboxamide, 3-Pyridinecarboxamide, N,N'-(1-methyl-1,2-ethanediyl)bis-, AVS

Molecular Formula: C15H16N4O2Molecular Weight: 284.313140 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: KTXBOOWDLPUROC-UHFFFAOYSA-N

• Nicergoline
Synonyms: nicergoline, Nicotergoline, Nimergoline, Nimergoline base, Sermion, Nicergolin [German], Nicergolina [DCIT], Sermion (TN), Spectrum_001370, Nicergolinum [INN-Latin], Prestwick0_000147, Prestwick1_000147, Prestwick2_000147, Prestwick3_000147, Spectrum2_001414, Spectrum3_001933, Spectrum4_000440, Spectrum5_001352, BSPBio_000254, BSPBio_003533

Molecular Formula: C24H26BrN3O3Molecular Weight: 484.385540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: YSEXMKHXIOCEJA-FVFQAYNVSA-N

• Nicorandil
IUPAC Name: 2-(pyridine-3-carbonylamino)ethyl nitrate | CAS Registry Number: 65141-46-0
Synonyms: NICORANDIL, Adancor, Sigmart, Dancor, Ikorel, Sigmart (TN), 2-Nicotinamidoethyl nitrate, Nicorandil Merck Brand, Tocris-2147, 2-Nicotinamidethyl Nitrate, Nicorandilum [INN-Latin], Nicorandil Aventis Brand, Merck Brand of Nicorandil, 2-(Nicotinamido)ethyl nitrat, 2 Nicotinamidethyl Nitrate, 2 Nicotinamidoethyl Nitrate, Aventis Brand of Nicorandil, Nitrate, 2-Nicotinamidethyl, SG 75, SG-75

Molecular Formula: C8H9N3O4Molecular Weight: 211.174760 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: LBHIOVVIQHSOQN-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

• Nimustine Hydrochloride
IUPAC Name: 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-1-(2-chloroethyl)-1-nitrosourea hydrochloride | CAS Registry Number: 55661-38-6
Synonyms: Nidran, Nimustine hydrochloride, ACNU, Nidran hydrochloride, Nidran (TN), CS 439 HCl, Nimustina clorhidrato [Spanish], MLS002153238, Nimustine hydrochloride (JAN), CHEBI:7576, CS-439, NSC-245,382, NSC245382, SMR001230702, WLN: T6N CNJ B1 DZ E1MVNNO&2G, LS-158850, TL8003631, C11276, D01059, 1-(2-Cloroetil)-1-nitroso-3-((2-metil-4-aminopirimidin-5-il)metil)urea clorhidrato [Spanish]

Molecular Formula: C9H14Cl2N6O2Molecular Weight: 309.152460 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: KPMKNHGAPDCYLP-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

• Nomilin
Synonyms: Limonoid, AIDS002684, AIDS-002684, CID72320, NSC297134, NSC 297134, AI3-37935, C08773, 1-(Acetyloxy)-1,2-dihydroobacunoic acid eta-lactone, 1-(Acetyloxy)-1,2-dihydroobacunoic acid .epislon.-lactone, Obacunoic acid, 1-(acetyloxy)-1,2-dihydro-, eta-lactone

Molecular Formula: C28H34O9Molecular Weight: 514.564160 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 9

InChIKey: KPDOJFFZKAUIOE-WNGDLQANSA-N

• NPS-2143
IUPAC Name: 2-chloro-6-[(2R)-2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propoxy]benzonitrile | CAS Registry Number: 284035-33-2
Synonyms: NPS2143, NPS 2143, SB-262470, S2633_Selleck, AC1OCFG2, SureCN13597018, cc-312, CHEMBL180672, CHEBI:400499, MolPort-021-805-006, BCPP000077, 2-CHLORO-6-[(2R)-3-[[1,1-DIMETHYL-2-(2-NAPHTHALENYL)ETHYL]AMINO]-2-HYDROXYPROPOXY]BENZONITRILE, ABP000462, DNC004878, CS-0319, SB 262470A, NCGC00344510-02, NPS 2143, SB262470 hydrochloride, HY-10007, LS-38661

Molecular Formula: C24H25ClN2O2Molecular Weight: 408.920500 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: PZUJQWHTIRWCID-HXUWFJFHSA-N

• NVP-AEW541
IUPAC Name: 7-[3-(azetidin-1-ylmethyl)cyclobutyl]-5-(3-phenylmethoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine | CAS Registry Number: 475489-16-8
Synonyms: AEW-541, AEW541, AEW 541, 475488-34-7, SureCN94862, AGN-PC-009VBF, SureCN1441421, SureCN1987652, NVP AEW541, cc-535, NVP-AEW 541, UNII-97QB5037VR, CTK4J0098, BCPP000146, DCL000364, AG-F-61825, BCP9001006, CS-0448, PB19343, RL03775

Molecular Formula: C27H29N5OMolecular Weight: 439.552060 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: AECDBHGVIIRMOI-UHFFFAOYSA-N

• NVP-BHG712
IUPAC Name: 4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide | CAS Registry Number: 940310-85-0
Synonyms: 940310-85-0 , NVP BHG712, 4-Methyl-3-[[1-methyl-6-(3-pyridinyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide, S2202_Selleck, NVPBHG712, AGN-PC-015AWW, SureCN4699731, cc-540, NVP BHG 712, QCR-258, MolPort-016-633-311, BCP9001010, CS-0469, RL05902, NCGC00249391-01, HY-13258, KB-58915, NVP-BHG712-Supplied by Selleck Chemicals, X7502, NVP-BHG712|940310-85-0|NVP BHG 712, 4-methyl-3-(1-methyl-6-(pyridin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)-N-(3-(trifluoromethyl)phenyl)benzamide

Molecular Formula: C26H20F3N7OMolecular Weight: 503.478510 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 9

InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-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

• O6-Benzylguanine
IUPAC Name: 6-(phenylmethoxy)-7H-purin-2-amine | CAS Registry Number: 19916-73-5
Synonyms: o6-benzylguanine, 6-O-Benzylguanine, 6-Benzyloxyguanine, O(6)-Benzylguanine, 6-(Benzyloxy)guanine, O(6)-Bgua, O(6) Benzylguanine, 2-Amino-6-(benzyloxy)purine, 6-BENZYLGUANINE, Lopac-B-2292, Purine, 2-amino-6-(benzyloxy)-, Lopac0_000181, 2-Amino-6-(phenylmethoxy)-9H-purine, MLS000859930, MLS001074887, B2292_SIGMA, 1H-Purin-2-amine, 6-(phenylmethoxy)-, C12H11N5O, NSC637037, 6-(Phenylmethoxy)-1H-purin-2-amine

Molecular Formula: C12H11N5OMolecular Weight: 241.248640 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: KRWMERLEINMZFT-UHFFFAOYSA-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

• OPHIOPOGONIN D
Synonyms: deacetylophiopogonin c pound notojv-v

Molecular Formula: C44H70O16Molecular Weight: 855.028 [g/mol]
H-Bond Donor: 8H-Bond Acceptor: 16

InChIKey: FHKHGNFKBPFJCB-BVTJHEIRSA-N

• 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

• Orientin
IUPAC Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one | CAS Registry Number: 28608-75-5
Synonyms: Lutexin, Orientin (Flavone), Luteolin 8-glucoside, Luteolin 8-C-glucoside, 8-beta-D-glucosylluteolin, CHEBI:7781, AIDS026706, AIDS-026706, C21H20O11, CID5281675, LS-39605, C10114, 2-(3,4-Dihydroxyphenyl)-8-beta-D-glucopyranosyl-5,7-dihydroxy-4H-1-benzopyran-4-one, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-8-beta-D-glucopyranosyl-5,7-dihydroxy-, 8-C-beta-glucopyranosyl-3',4',5,7-tetrahydroxyflav-2-en-3-one, 2-(3,4-dihydroxyphenyl)-8-beta-D-glucopyranosyl-5,7-dihydroxy-4H-chromen-4-one, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-8-.beta.-D-glucopyranosyl-5,7-dihydroxy-

Molecular Formula: C21H20O11Molecular Weight: 448.376900 [g/mol]
H-Bond Donor: 8H-Bond Acceptor: 11

InChIKey: PLAPMLGJVGLZOV-VPRICQMDSA-N

• Ostarine
IUPAC Name: (2S)-3-(4-cyanophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide | CAS Registry Number: 1202044-20-9
Synonyms: ENOBOSARM, GTx-024, MK-2866, Enobosarm (USAN), Enobosarm [USAN], GTx-024, MK-2866, Ostarine, 841205-47-8, MK 2866, MK 2866, 1202044-20-9, MK2866, (2S)-3-(4-Cyanophenoxy)-N-(4-cyano-3-(trifluoromethyl)phenyl)-2-hydroxy-2-methylpropanamide, (2s)-3-(4-Cyanophenoxy)-N-[4-Cyano-3-(Trifluoromethyl)phenyl]-2-Hydroxy-2-Methylpropanamide, SureCN109069, UNII-O3571H3R8N, CHEMBL1738889, AKOS005266718, CS-0562, EX-8408, NCGC00346499-01, HY-13273

Molecular Formula: C19H14F3N3O3Molecular Weight: 389.327970 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: JNGVJMBLXIUVRD-SFHVURJKSA-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

• Paeoniflorin
Synonyms: Paeonia moutan, Paeony root, Ambap3981, AIDS002238, AIDS-002238, NSC178886, C09959, .beta.-D-Glucopyranoside, (1aR,2S,3aR,5R,5aR,5bS)-5b-[(benzoyloxy)methyl]tetrahydro-5-hydroxy-2-methyl-2,5-methano-1H-3,4-dioxacyclobuta[cd]pentalen-1a(2H)-yl

Molecular Formula: C23H28O11Molecular Weight: 480.461820 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 11

InChIKey: YKRGDOXKVOZESV-WRJNSLSBSA-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


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