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Yingxuan Chempharm Co., Ltd.

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Contact: Tony Liang
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Address: Rm.1705, No.51, JinZang Rd., Pudong, Shanghai 201206, China
Phone: +86-(21)-50323911 | Fax: +86-(21)-50323911 | Map/Directions >>

Profile: Yingxuan Chempharm Co., Ltd. specializes in developing and distributing new bulk drugs, new pharmaceutical intermediates & new molecules. We mainly manufactures angoroside C, celastrol, D-bicuculline, D-tetrahydropalmatine, harpagoside and lupeol. Our products include anti-cancers, antivirals (Anti-HIV), hormones, antibiotics and custom manufacturing substances. We offer API, which includes antineoplastics, antivirals, hormones and pharmaceutical peptide. Our entecavir ( Baraclude ) is a nucleoside analogue that is used as a treatment for chronic hepatitis B virus infection. We provide custom synthesis service of compounds.

1 to 50 of 340 Products/Chemicals (Click for related suppliers)  Page: [1] 2 3 4 5 6 7 >> Next 50 Results
• Abiraterone
IUPAC Name: (3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol | CAS Registry Number: 154229-19-3
Synonyms: UNII-G819A456D0, CHEBI:522175, CID132971, ZINC03797541, CB 7598, CB-7598, 17-(3-Pyridyl)androsta-5,16-dien-3beta-ol, Androsta-5,16-dien-3-ol, 17-(3-pyridinyl)-, (3beta)-, (3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-(pyridin-3-yl)-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

Molecular Formula: C24H31NOMolecular Weight: 349.509040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: GZOSMCIZMLWJML-VJLLXTKPSA-N

• Acteoside
IUPAC Name: [(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate | CAS Registry Number: 61276-17-3
Synonyms: Verbascoside, Kusaginin, MLS002473233, TJC 160, AIDS030638, NSC 603831, AIDS-030638, C29H36O15, NSC603831, CID5281800, LS-71509, SMR001397320, C10501, (B864379), Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl 3-O-(6-deoxy-alpha-L-mannopyranosyl)-, 4-(3-(3,4-dihydroxyphenyl)-2-propenoate), (E)-beta-D-, .beta.-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl3-O-(6-deoxy-.alpha.-L-mannopyranosyl)-, 4-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoate], 22323-52-0, 27625-92-9, Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl 3-O-(6-deoxy-alpha-L-mannopyranosyl)-,4-(3-(3,4-dihydroxyphenyl)-2-propenoate), (E)-beta-D-

Molecular Formula: C29H36O15Molecular Weight: 624.587140 [g/mol]
H-Bond Donor: 9H-Bond Acceptor: 15

InChIKey: FBSKJMQYURKNSU-ZLSOWSIRSA-N

• Adriamycin
IUPAC Name: (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione | CAS Registry Number: 23214-92-8
Synonyms: doxorubicin, Adriblastina, Adriablastin, Adriblastin, Doxil, Adriacin, Rubex, Adriblas tina, Doxorubicin HCl, 14-Hydroxydaunomycin, Adriamycin PFS, Adriamycin RDF, 14-Hydroxydaunorubicine, Adriamycin semiquinone, Adriblastina (TN), nchembio809-comp5, DOXO, Doxorubicin Hydrochloride, Doxorubicine [INN-French], Doxorubicinum [INN-Latin]

Molecular Formula: C27H29NO11Molecular Weight: 543.519260 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 12

InChIKey: AOJJSUZBOXZQNB-TZSSRYMLSA-N

• Agomelatine
IUPAC Name: N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide | CAS Registry Number: 138112-76-2
Synonyms: Valdoxan, Thymanax, Agomelatine [INN], Valdoxan (TN), Agomelatine (INN), AGO-178, AGO178, C15H17NO2, AGO 178, CID82148, PDSP1_001305, PDSP1_001784, PDSP2_001289, PDSP2_001767, LS-9830, S20098, N-(2-(7-methoxy-1-naphthyl)ethyl)acetamide, N-(2-(7-Methoxynaphth-1-yl)ethyl)acetamide, S 20098, S-20098

Molecular Formula: C15H17NO2Molecular Weight: 243.300980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YJYPHIXNFHFHND-UHFFFAOYSA-N

• Alfacalcidol
IUPAC Name: (1R,3S,5E)-5-[(2Z)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol | CAS Registry Number: 41294-56-8
Synonyms: alfacalcidol, 1alpha-Hydroxypregnacalciferol, LMST03020661, CID5284515, (1S,3R,5E,7Z)-9,10-secocholesta-5,7,10-triene-1,3-diol, (5E,7Z)-(1S,3R)-9,10-seco-5,7,10(19)-cholestatriene-1,3-diol

Molecular Formula: C27H44O2Molecular Weight: 400.637060 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: OFHCOWSQAMBJIW-GITLSTMWSA-N

• Aliskiren
IUPAC Name: (2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide | CAS Registry Number: 173334-57-1
Synonyms: Rasilez, Aliskiren [INN], Rasilez (TN), Aliskiren (USAN/INN), SPP100, SPP 100, CID5493444, DB01258, D03208, (2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide, C41

Molecular Formula: C30H53N3O6Molecular Weight: 551.758320 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 7

InChIKey: UXOWGYHJODZGMF-QORCZRPOSA-N

• Aliskiren hemifumarate
IUPAC Name: (2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide; (2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide; (E)-but-2-enedioic acid | CAS Registry Number: 173334-58-2
Synonyms: Tekturna, Enviage, Rasilez, Riprazo, Sprimeo, Aliskiren fumarate, Tekturna (TN), Aliskiren fumarate (JAN), SPP-100B, SPP-100, CGP-60536B, CGP-60536, D06412

Molecular Formula: C64H110N6O16Molecular Weight: 1219.588800 [g/mol]
H-Bond Donor: 10H-Bond Acceptor: 18

InChIKey: KLRSDBSKUSSCGU-KRQUFFFQSA-N

• Alprostadil
IUPAC Name: 7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]heptanoic acid | CAS Registry Number: 745-65-3
Synonyms: alprostadil, Prostaglandin E1, Befar, Prostandin, Prostavasin, Caverject, Topiglan, Femprox, Sugiran, Viridal, Alista, Prink, Edex, Muse, FemLife, Prostin VR, Alprox-TD, PGE1, PGE1 Oligomer, Befar (TN)

Molecular Formula: C20H34O5Molecular Weight: 354.480960 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: GMVPRGQOIOIIMI-DWKJAMRDSA-N

• Amifostine
IUPAC Name: 2-(3-aminopropylamino)ethylsulfanylphosphonic acid trihydrate | CAS Registry Number: 112901-68-5
Synonyms: amifostine, Ethyol, Amifostine hydrate, Anifostine trihydrate, Amifostine (USP), Amifostine trihydrate, ETHYOL (TN), Amifostine [USAN:INN:BAN], C5H15N2O3PS.3H2O, NSC 296961, LS-172202, D00226, Ethanethiol, 2-((3-aminopropyl)amino)-, dihydrogen phosphate (ester), trihydrate, S-(2-((3-Aminopropyl)amino)ethyl) dihydrogen phosphorothioate, trihydrate

Molecular Formula: C5H21N2O6PSMolecular Weight: 268.268801 [g/mol]
H-Bond Donor: 7H-Bond Acceptor: 8

InChIKey: TXQPXJKRNHJWAX-UHFFFAOYSA-N

• Amorolfin
IUPAC Name: (2R,6S)-2,6-dimethyl-4-[2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propyl]morpholine | CAS Registry Number: 78613-35-1
Synonyms: Amorolfine, Loceryl, amorolfin, Loceryl (TN), Amorolfinum [Latin], Amorolfina [Spanish], amorolfine hydrochloride, Amorolfine (USAN/INN), Amorolfine [USAN:BAN:INN], C21H35NO, AIDS017386, AIDS-017386, CID54260, NCGC00167524-01, Ro 14-4767-002, LS-176596, Ro 14-4767/000, Ro-14-4767-002, D02923, Morpholine, 4-(3-(4-(1,1-dimethylpropyl)phenyl)-2-methylpropyl)-2,6-dimethyl-

Molecular Formula: C21H35NOMolecular Weight: 317.508700 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: MQHLMHIZUIDKOO-AYHJJNSGSA-N

• Anacetrapib
IUPAC Name: (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one | CAS Registry Number: 875446-37-0
Synonyms: UNII-P7T269PR6S, MK0859, MK-0859, CID11556427, CID 11556427

Molecular Formula: C30H25F10NO3Molecular Weight: 637.508432 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 13

InChIKey: MZZLGJHLQGUVPN-HAWMADMCSA-N

• Angoroside C
IUPAC Name: [(2R,3R,4R,5R,6R)-5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-4-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate | CAS Registry Number: 115909-22-3
Synonyms: CID6444153

Molecular Formula: C36H48O19Molecular Weight: 784.754920 [g/mol]
H-Bond Donor: 9H-Bond Acceptor: 19

InChIKey: KLQXMRBGMLHBBQ-FUNGFBQYSA-N

• Aprepitant
IUPAC Name: 5-[[(2S,3R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one | CAS Registry Number: 170729-80-3
Synonyms: Emend, Aprepitant [USAN], MK 869, MK 0869, DB00673, NCGC00181785-01, LS-156477, L 754030, 3H-1,2,4-Triazol-3-one, 5-(((2R,3S)-2-((1R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)-4-morpholinyl)methyl)-1,2-dihydro-, 3H-1,2,4-Triazol-3-one, 5-((2-(1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)-4-morpholinyl)methyl)-1,2-dihydro-, (2R-(2alpha(R*),3alpha))-, 221350-96-5, 3-(((2R,3S)-3-(p-Fluorophenyl)-2-(((alphaR)-alpha-methyl-3,5-bis(trifluoromethyl)benzyl)oxy)morpholino)methyl)-delta(sup 2)-1,2,4-triazolin-5-one, 5-[[(2S,3R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one

Molecular Formula: C23H21F7N4O3Molecular Weight: 534.426662 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 12

InChIKey: ATALOFNDEOCMKK-BYYRLHKVSA-N

• Arecoline Hydrobromide
IUPAC Name: methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate hydrobromide | CAS Registry Number: 300-08-3
Synonyms: Arecoline hydrobromide, Taeniolin, Arecoline bromide, Prestwick_958, ARECOLINE HBr, Arekolinhydrobromid [German], C8H13NO2.HBr, MLS000028840, SPECTRUM1500680, 46063_RIEDEL, 10980_FLUKA, EINECS 206-087-3, NSC 31750, Arecaidine methyl ester hydrobromide, NCGC00093563-01, NCGC00093563-02, NCGC00093563-03, NCGC00093563-04, NCGC00093563-05, NCGC00093563-06

Molecular Formula: C8H14BrNO2Molecular Weight: 236.106260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: AXOJRQLKMVSHHZ-UHFFFAOYSA-N

• Atipamezole
IUPAC Name: 5-(2-ethyl-1,3-dihydroinden-2-yl)-1H-imidazole | CAS Registry Number: 104054-27-5
Synonyms: Antisedan, antipamezole, Antisedan (TN), Atipamezol [Spanish], Atipamezolum [Latin], Atipamezole (USAN/INN), Atipamezole [USAN:BAN:INN], 4-(2-Ethyl-2-indanyl)imidazole, MPV 1248, MPV-1248, C14H16N2, CID71310, PDSP1_001582, PDSP2_001566, ZINC05424171, LS-171901, D03002, 1H-Imidazole, 4-(2-ethyl-2,3-dihydro-1H-inden-2-yl)-

Molecular Formula: C14H16N2Molecular Weight: 212.290240 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: HSWPZIDYAHLZDD-UHFFFAOYSA-N

• Avanafil
IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide | CAS Registry Number: 330784-47-9
Synonyms: UNII-DR5S136IVO, TA 1790, 330785-17-6, 5-Pyrimidinecarboxamide, 4-(((3-chloro-4-methoxyphenyl)methyl)amino)-2-((2S)-2-(hydroxymethyl)-1-pyrrolidinyl)-N-(2-pyrimidinylmethyl)-, 647841-09-6

Molecular Formula: C23H26ClN7O3Molecular Weight: 483.950640 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 9

InChIKey: WEAJZXNPAWBCOA-UHFFFAOYSA-N

• Axitinib
IUPAC Name: N-methyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide | CAS Registry Number: 319460-85-0
Synonyms: Axitinib [USAN], AG-013736, CID6450551, AG-13736, AG 013736, Benzamide, N-methyl-2-((3-((1E)-2-(2-pyridinyl)ethenyl)-1H-indazo)-6-yl)thio)-, N-methyl-2-((3-((1E)-2-(pyridin-2-yl)ethenyl)-1H-indazol-6-yl)sulfanyl)benzamide, 790713-39-2

Molecular Formula: C22H18N4OSMolecular Weight: 386.469520 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: RITAVMQDGBJQJZ-FMIVXFBMSA-N

• Bendamustine Hydrochloride
IUPAC Name: 4-[5-[bis(2-chloroethyl)amino]-1-methylbenzimidazol-2-yl]butanoic acid hydrochloride | CAS Registry Number: 3543-75-7
Synonyms: Cytostasan, Treanda, Ribomustin, Ribomustin (TN), Treanda (TN), Bendamustine hydrochloride, Bendamustin hydrochloride, IMET 3393, CCRIS 1864, SDX 105, NSC 138783, NSC138783, Bendamustine hydrochloride (JAN/USAN), LS-33224, D07085, WLN: T56 BN DNJ B1 C3VQ GN2G2G &GH, 2-Benzimidazolinebutryric acid, 1-methyl-5-bis(2-chloroethyl)amino-, hydrochloride, gamma(1-Methyl-5-bis(beta-chloraethyl)aminobenzimidazoyl-2)buttersaeurehydrochlorid [German], .gamma.(1-Methyl-5-bis(.beta.-chloraethyl)aminobenzimidazolyl)buttersaeurehydrochlorid, .gamma.-[1-Methyl-5-bis(.beta.-chloroaethyl)aminobenzimidazoyl]buttersauere hydrochlorid

Molecular Formula: C16H22Cl3N3O2Molecular Weight: 394.723780 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: ZHSKUOZOLHMKEA-UHFFFAOYSA-N

• Benzene, 4-[(2R)-2-(bromomethyl)-3-methylbutyl]-1-methoxy-2-(3-methoxypropoxy)-
IUPAC Name: 4-[(2R)-2-(bromomethyl)-3-methylbutyl]-1-methoxy-2-(3-methoxypropoxy)benzene | CAS Registry Number: 172900-69-5
Synonyms: 2-(3-Methoxypropoxy)-4-((R)-2-(bromomethyl)-3-methylbutyl)-1-methoxybenzene, AG-E-22303, (R)-4-(2-(BROMOMETHYL)-3-METHYLBUTYL)-1-METHOXY-2-(3-METHOXYPROPOXY)BENZENE, (R)-4-[2-(Bromomethyl)-3-methylbutyl]-1-methoxy-2-(3-methoxypropoxy)benzene, SureCN4300111, CTK4D4409, ANW-48329, SBB070983, ZINC38548618, AKOS015851736, AKOS015888737, AK-33680, BR-33680, AM20090747, X0116, (2R)-2-[4-methoxy-3-(3-methoxypropoxy)benzyl]-3-methylbutyl bromide, Benzene,4-[(2R)-2-(bromomethyl)-3-methylbutyl]-1-methoxy-2-(3-methoxypropoxy)-, Benzene,4-[2-(bromomethyl)-3-methylbutyl]-1-methoxy-2-(3-methoxypropoxy)-, (R)-;

Molecular Formula: C17H27BrO3Molecular Weight: 359.298480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: ICJBMWOVLFPLFP-HNNXBMFYSA-N

• Benzene, 4-[(2R)-2-(chloromethyl)-3-methylbutyl]-1-methoxy-2-(3-methoxypropoxy)-
IUPAC Name: 4-[(2R)-2-(chloromethyl)-3-methylbutyl]-1-methoxy-2-(3-methoxypropoxy)benzene | CAS Registry Number: 324763-39-5
Synonyms: (R)-4-(2-(chloromethyl)-3-methylbutyl)-1-methoxy-2-(3-methoxypropoxy)benzene, 4-[(2R)-2-(Chloromethyl)-3-methylbutyl]-1-methoxy-2-(3-methoxypropoxy)benzene, AG-F-08585, PubChem20512, SureCN188718, CTK1C2240, 4-[(2R)-2-(CHLOROMETHYL)-3-METHYLBUTYL]-1-METHOXY-2-(3-METHOXYPROPOXY)-BENZENE, ANW-46428, SBB070964, ZINC38548617, AKOS015852573, AKOS015890623, PB13385, AK-86198, KB-188454, AM20090743, FT-0654047, X0245, I01-7215, 2-(3-methoxypropoxy)-4-[(R)-2-(chloromethyl)-3-methylbutyl]-1-methoxybenzene;Benzene,4-[(2R)-2-(chloromethyl)-3-methylbutyl]-1-methoxy-2-(3-methoxypropoxy)-;

Molecular Formula: C17H27ClO3Molecular Weight: 314.847480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: OYYMMVGLRJVHEE-HNNXBMFYSA-N

• Benzoic acid, 2-(bromomethyl)-3-nitro-, methyl ester
IUPAC Name: methyl 2-(bromomethyl)-3-nitrobenzoate | CAS Registry Number: 98475-07-1
Synonyms: Methyl 2-(bromomethyl)-3-nitrobenzoate, Methyl 2-bromomethyl-3-nitrobenzoate, 2-BROMOMETHYL-3-NITROBENZOIC ACID METHYL ESTER, Methyl2-bromomethyl-3-nitrobenzoate, SBB064270, AG-H-99647, 2-Bromomethyl-3-nitrobenzoicacid methyl ester, BENZOIC ACID, 2-(BROMOMETHYL)-3-NITRO-, METHYL ESTER, 2-Bromomethyl-3-nitro benzoic acid methyl ester, ZINC01402301, zlchem 474, AC1LSGVO, PubChem19169, SureCN332011, KSC496G1P, CTK3J6317, ZLC0339, MolPort-002-344-323, ACT00740, ANW-47137

Molecular Formula: C9H8BrNO4Molecular Weight: 274.068120 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: FCGIVHSBEKGQMZ-UHFFFAOYSA-N

• Benzonitrile, 2-chloro-6-[(2R)-3-[[1,1-dimethyl-2-(2-naphthalenyl)ethyl]amino]-2-hydroxypropoxy]-
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: NPS-2143, 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

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

InChIKey: PZUJQWHTIRWCID-HXUWFJFHSA-N

• Bergapten
IUPAC Name: 4-methoxyfuro[3,2-g]chromen-7-one | CAS Registry Number: 484-20-8
Synonyms: 5-Methoxypsoralen, bergaptene, Heraclin, Majudin, Pentaderm, Psoraderm, BERGAPTAN, Isopimpinellin, Bergapten(e), O-Methylbergaptol, 5-Methoxy psoralen, Pentaderm (TN), 5-Methoxyfuranocoumarin, 5-Mop, Spectrum_000794, Spectrum2_000534, Spectrum3_000663, Spectrum4_001478, Spectrum5_000155, 5-Methoxy-6,7-furanocoumarin

Molecular Formula: C12H8O4Molecular Weight: 216.189520 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: BGEBZHIAGXMEMV-UHFFFAOYSA-N

• Bestatin
IUPAC Name: (2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-4-methylpentanoic acid | CAS Registry Number: 58970-76-6
Synonyms: Ubenimex, Ubestatin, Ubenimexum [Latin], 1txr, Ubenimex [INN:JAN], Bestatin hydrochloride, Tocris-1956, Lopac0_000214, BSPBio_001553, KBioGR_000273, KBioSS_000273, MLS000028649, MLS001424177, 482609_ALDRICH, BCBcMAP01_000178, EINECS 261-529-2, KBio2_000273, KBio2_002841, KBio2_005409, KBio3_000545

Molecular Formula: C16H24N2O4Molecular Weight: 308.372760 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: VGGGPCQERPFHOB-RDBSUJKOSA-N

• Betulinic Acid
IUPAC Name: (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid | CAS Registry Number: 472-15-1
Synonyms: betulinic acid, Mairin, Betulic acid, Prestwick_95, Betulinic Acid, 24, Prestwick0_000417, Prestwick1_000417, Prestwick2_000417, Prestwick3_000417, CCRIS 6748, BSPBio_000374, BSPBio_001587, MLS000728510, SPBio_002313, NSC677578, 855057_ALDRICH, BPBio1_000412, EINECS 207-448-8, AIDS005859, NSC 113090

Molecular Formula: C30H48O3Molecular Weight: 456.700320 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: QGJZLNKBHJESQX-FZFNOLFKSA-N

• Bexarotene
IUPAC Name: 4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid | CAS Registry Number: 153559-49-0
Synonyms: Targretin, Targretyn, Targrexin, Bexarotene [USAN], LG69 compound, Targretin (TN), 3-methyl-TTNEB, Elan brand of bexarotene, Bexarotene (USAN/INN), Ligand brand of bexarotene, LGD 1069, CHEBI:50859, HSDB 7453, LGD1069, C24H28O2, CID82146, LG 1069, LGD-1069, LG1069, LG100069

Molecular Formula: C24H28O2Molecular Weight: 348.477920 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: NAVMQTYZDKMPEU-UHFFFAOYSA-N

• Bicalutamide
IUPAC Name: (2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide | CAS Registry Number: 90357-06-5
Synonyms: bicalutamide, Casodex, (R)-Bicalutamide, R-BICALUTAMIDE, Bicalutamide [USAN:BAN:INN], CHEBI:3090, STOCK6S-47735, 1z95, CID56069, DB01128, DB02932, ICI 176334, BRN 5364666, NCGC00167487-01, (2R)-N-[4-CYANO-3-(TRIFLUOROMETHYL)PHENYL]-3-[(4-FLUOROPHENYL)SULFONYL]-2-HYDROXY-2-METHYLPROPANAMIDE, (+-)-4'-Cyano-alpha,alpha,alpha-trifluoro-3-((p-fluorophenyl)sulfonyl)-2-methyl-m-lactotoluidide, (2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide, Propanamide, N-(4-cyano-3-(trifluoromethyl)phenyl)-3-((4-fluorophenyl)sulfonyl)-2-hydroxy-2-methyl-, (+-)-

Molecular Formula: C18H14F4N2O4SMolecular Weight: 430.373373 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 9

InChIKey: LKJPYSCBVHEWIU-KRWDZBQOSA-N

• Bimatoprost
IUPAC Name: (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]-N-ethylhept-5-enamide | CAS Registry Number: 155206-00-1
Synonyms: Lumigan, Latisse, Lumigan (TN), Bimatoprost (USAN/INN), Bimataprost [USAN:INN:BAN], AGN 192024, CHEBI:51230, AGN-192024, CID5311027, DB00905, NCGC00181745-01, LS-181817, D02724, (Z)-7-((1R,2R,3R,5S)-3,5-Dihydroxy-2-((1E,3S)-3-hydroxy-5-phenyl-1-pentenyl)cyclopentyl)-N-ethyl-5-heptenamide, 5-Heptenamide, 7-((1R,2R,3R,5S)-3,5-dihydroxy-2-((1E,3S)-3-hydroxy-5-phenyl-1-pentenyl)cyclopentyl)-N-ethyl-, (5Z)-, 5-Heptenamide, 7-(3,5-dihydroxy-2-(3-hydrdoxy-5-phenyl-1-pentenyl)cyclopentyl)-N-ethyl-, (1R-(1alpha(Z),2beta(1E,3S*),3alpha,5alpha))-, (5Z)-7-{(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxy-5-phenylpent-1-en-1-yl]cyclopentyl}-N-ethylhept-5-enamide, (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]-N-ethylhept-5-enamide, 15M, 267244-98-4

Molecular Formula: C25H37NO4Molecular Weight: 415.565580 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 4

InChIKey: AQOKCDNYWBIDND-FTOWTWDKSA-N

• Bivalirudin
Synonyms: Angiomax, Hirulog, Hirulog-1, Angiomax (TN), Bivalirudin (USAN/INN), Bivalirudin [USAN:BAN:INN], C9H11NO.C2H6.CH4, BG8967, BG-8967, DB00006, DB02351, LS-172701, D03136, Phe-Pro-Arg-Pro-(Gly)4 desulfato-Tyr63'-hirugen, Phe-Pro-Arg-Pro-(Gly)4-desulfohirudin-(53-64), D-Phenylalanyl-L-prolyl-L-arginyl-L-prolylglycylglycylglycylglycyl-L-asparaginylglycyl-L-alpha-aspartyl-L-phenylalanyl-L-alpha-glutamyl-L-alpha-glutamyl-L-isoleucyl-L-prolyl-L-alpha-glutamyl-L-alpha-glutamyl-L-tyrosyl-L-leucine, L-Leucine, D-phenylalanyl-L-prolyl-L-arginyl-L-prolylglycylglycylglycylglycyl-L-asparaginylglycyl-L-alpha-aspartyl-L-phenylalanyl-L-alpha-glutamyl-L-alpha-glutamyl-L-isoleucyl-L-prolyl-L-alpha-glutamyl-L-alpha-glutamyl-L-tyrosyl-, Phe-Pro-Arg-Pro-(Gly)4-Asn-Gly-Asp-Phe-Glu-Glu-Ile-Pro-Glu-Glu-Tyr-Leu, (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-4-amino-2-[[2-[[2-[[2-[[2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2R)-2-amino-3-cyclohexylpropanoyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-4-oxobutanoyl]amino]acetyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-3-cyclohexylpropanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoic acid

Molecular Formula: C98H138N24O33Molecular Weight: 2180.285320 [g/mol]
H-Bond Donor: 28H-Bond Acceptor: 37

InChIKey: OIRCOABEOLEUMC-GEJPAHFPSA-N

• Bleomycin Sulfate
IUPAC Name: 3-[[2-[2-[2-[[(2S,3R)-2-[[(2S,3S,4R)-4-[[(2S,3R)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[3-[4-carbamoyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-2-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]ethyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carbonyl]amino]propyl-dimethylsulfanium | CAS Registry Number: 9041-93-4
Synonyms: bleomycin, Bleomycins, Bleomicin, Bleocin, bleomycin a2, bleomycin B2, Bleomycin A(2), Bleomycin B(2), Bleomycine [INN-French], Bleomycinum [INN-Latin], Bleomicina [INN-Spanish], CCRIS 2754, HSDB 3208, NSC 125066, C55H85N17O21S3, LMPK03000007, LS-524, NDC 0015-3010, 11056-06-7, 1400-95-9

Molecular Formula: C55H84N17O21S3+Molecular Weight: 1415.551760 [g/mol]
H-Bond Donor: 20H-Bond Acceptor: 30

InChIKey: OYVAGSVQBOHSSS-WXFSZRTFSA-O

• Bosentan
IUPAC Name: 4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]benzenesulfonamide hydrate | CAS Registry Number: 157212-55-0
Synonyms: Bosentan hydrate, Tracleer, Tracleer (TN), Bosentan (USAN), Bosentan [USAN], Bosentan hydrate (JAN), CHEBI:31300, TL8001188, D01227, 4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2,2'-bipyrimidin-4-yl]benzenesulfonamide hydrate, Benzenesulfonamide, 4-(1,1-dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)(2,2'-bipyrimidin)-4-yl)-, monohydrate

Molecular Formula: C27H31N5O7SMolecular Weight: 569.629340 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 12

InChIKey: SXTRWVVIEPWAKM-UHFFFAOYSA-N

• Bosutinib
IUPAC Name: 4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile | CAS Registry Number: 380843-75-4
Synonyms: Bosutinib (USAN), Bosutinib [USAN], SKI-606, CHEBI:39112, SKI 606, K00615a, CID5328940, D03252, 3-Quinolinecarbonitrile, 4-((2,4-dichloro-5-methoxyphenyl)amino)-6-methoxy-7-(3-(4-methyl-1-piperazinyl)propoxy)-, 4-((2,4-dichloro-5-methoxyphenyl)amino)-6-methoxy-7-(3-(4-methyl-1-piperazinyl)propoxy)-3-quinolinecarbonitrile, 4-((2,4-dichloro-5-methoxyphenyl)amino)-6-methoxy-7-(3-(4-methylpiperazin-1-yl)propoxy)quinoline-3-carbonitrile, 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile

Molecular Formula: C26H29Cl2N5O3Molecular Weight: 530.446160 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 8

InChIKey: UBPYILGKFZZVDX-UHFFFAOYSA-N

• Brefeldin A
IUPAC Name: (1R,2S,3E,7S,11E,13S,15S)-2,15-dihydroxy-7-methyl-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one | CAS Registry Number: 20350-15-6
Synonyms: Ascotoxin, brefeldin A, Decumbin, Cyanein, Lunatin, Nectrolide, Synergisidin, Cyanaein, (+)-Brefeldin A, Pfizer B 174987, NSC56310, NSC89671, PFIZER B174987, NSC107456, NSC244390, AIDS003358, Antibiotic from Penicillium cyaneum, AIDS-003358, CID5351204, B 174987

Molecular Formula: C16H24O4Molecular Weight: 280.359360 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: KQNZDYYTLMIZCT-PNFJWZTBSA-N

• Brimonidine D-Tartrate
IUPAC Name: 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine; (2R,3R)-2,3-dihydroxybutanedioic acid | CAS Registry Number: 70359-46-5
Synonyms: Alphagan, brimonidine, Alphagan P, Brominide tartrate, brimonidine Purite, Alphagan (TN), BRIMONIDINE TARTRATE, UNII-4S9CL2DY2H, Brimonidine tartrate (USAN), Brimonidine tartrate [USAN], C11H10BrN5.C4H6O6, AGN 190342LF, 59803-98-4 (Parent), CID54405, LS-177484, D02076, brimonidine tartrate (1:1), (S-(R*,R*))-isomer, 5-Bromo-6-(2-imidazolin-2-ylamino)quinoxaline D-tartrate (1:1), 79570-19-7, 109826-56-4

Molecular Formula: C15H16BrN5O6Molecular Weight: 442.221440 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 11

InChIKey: QZHBYNSSDLTCRG-LREBCSMRSA-N

• Budesonide
Synonyms: budesonide, Entocort, Preferid, Pulmicort, Rhinocort, Rhinocort Aqua, Budenofalk, Inflammide, Cortivent, Horacort, Micronyl, Miflonide, Pulmaxan, Respules, Spirocort, Budeson, Budiair, Bidien, Rhinocort alpha, Giona Easyhaler

Molecular Formula: C25H34O6Molecular Weight: 430.533860 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: VOVIALXJUBGFJZ-KWVAZRHASA-N

• Butanamide,2-hydroxy-3-methyl-N-[(1S)-1-methyl-2-oxo-2-[[(1S)-2,3,4,5-tetrahydro-3-methyl-2-oxo-1H-3-benzazepin-1-yl]amino]ethyl]-,(2S)-
IUPAC Name: (2S)-2-hydroxy-3-methyl-N-[(2S)-1-[[(5S)-3-methyl-4-oxo-2,5-dihydro-1H-3-benzazepin-5-yl]amino]-1-oxopropan-2-yl]butanamide | CAS Registry Number: 425386-60-3
Synonyms: Semagacestat, LY450139, LY-450139, LY 450139, (S)-2-hydroxy-3-methyl-N-((S)-1-((S)-3-methyl-2-oxo-2,3,4,5-tetrahydro-1H-benzo[d]azepin-1-ylamino)-1-oxopropan-2-yl)butanamide, (2S)-2-HYDROXY-3-METHYL-N-[(1S)-1-METHYL-2-OXO-2-[[(1S)-2,3,4,5-TETRAHYDRO-3-METHYL-2-OXO-1H-3-BENZAZEPIN-1-YL]AMINO]ETHYL]BUTANAMIDE, LY-450139, LY450139, Semagacestat, S1594_Selleck, PubChem20549, Semagacestat (USAN/INN), SureCN417581, cc-411, Semagacestat (LY450139), UNII-3YN0602W4W, CHEMBL520733, CTK8D4032, QCR-178, BCPP000174, ABP000262, AKOS015924574

Molecular Formula: C19H27N3O4Molecular Weight: 361.435380 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: PKXWXXPNHIWQHW-RCBQFDQVSA-N

• Cabergoline
Synonyms: cabergoline, Dostinex, Cabaseril, Cabaser, Galastop, Sogilen, Cabergolinum [Latin], Cabergolina [Spanish], Dostinex (TN), Cabaser (TN), Cabergoline [USAN:BAN:INN], Cabergoline (JAN/USAN/INN), FCE 21336, FCE-21336, C26H37N5O2, CID54746, BRN 6020775, CG-101, DB00248, LS-64370

Molecular Formula: C26H37N5O2Molecular Weight: 451.604280 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: KORNTPPJEAJQIU-KJXAQDMKSA-N

• Calcifediol Monohydrate
IUPAC Name: (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol hydrate | CAS Registry Number: 63283-36-3
Synonyms: Calcifediol, Calderol, Calcifediol hydrate, Calderol (TN), Calcifediol monohydrate, Calcifediol (USP/INN), Calcifediol [USAN:INN:BAN], CID6441383, D00122, 9,10-Secocholesta-5,7,10(19)-triene-3,25-diol, monohydrate, (3beta,5Z,7E)-

Molecular Formula: C27H46O3Molecular Weight: 418.652340 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: WRLFSJXJGJBFJQ-WPUCQFJDSA-N

• Calcipotriol
IUPAC Name: (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol | CAS Registry Number: 112965-21-6
Synonyms: calcipotriene, Dovonex, Dovonex (TN), Calcipotriol (JAN), Calcipotriene (USAN), D01125

Molecular Formula: C27H40O3Molecular Weight: 412.604700 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: LWQQLNNNIPYSNX-QNRBAYFRSA-N

• Calcitriol
IUPAC Name: (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol | CAS Registry Number: 32222-06-3
Synonyms: calcitriol, Rocaltrol, Calcijex, Topitriol, Soltriol, Vectical, Asentar, Silkis, vit D, Rocaltrol (TN), Dihydroxyvitamin D3, 1,25-Dihydroxyvitamin D, Ambap3896, 1db1, 1alpha,25-Dihydroxyvitamin D3, Spectrum5_002061, Calcitriolum [INN-Latin], 1alpha,25(OH)2D3, 1,25-Dihydroxyvitamin D3, 1alpha,25(OH)2-D3

Molecular Formula: C27H44O3Molecular Weight: 416.636460 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: GMRQFYUYWCNGIN-NKMMMXOESA-N

• Calcium Folinate
IUPAC Name: calcium (2S)-2-[[4-[(2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioate | CAS Registry Number: 1492-18-8
Synonyms: Wellcovorin, calcium folinate, Lederfoline, Calcium leucovorin, Uzel, LEUCOVORIN CALCIUM, Folinate-SF Calcium, Wellcovorin (TN), Prestwick_224, Folinic acid calcium salt, Leucovorin calcium salt, Calcium citrovorum factor, Uzel (TN), Leucovorin Calcium [USAN], Calcii folinas [INN-Latin], Leucovorin calcium (USP), Calcium folinate (JP15), Folinic acid-SF, calcium salt, Calcium 5-formyltetrahydrofolate, Folinato calcico [INN-Spanish]

Molecular Formula: C20H21CaN7O7Molecular Weight: 511.501440 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 11

InChIKey: KVUAALJSMIVURS-ZEDZUCNESA-L

• Camptothecin
Synonyms: camptothecin, Camptothecine, d-Camptothecin, (S)-Camptothecin, (+)-Camptothecin, (+)-Camptothecine, 20(S)-Camptothecine, 20(S)-Camptothecin, Camptothecine (8CI), Prestwick_102, (S)-(+)-Camptothecin, Camptothecine (S,+), Spectrum_000299, Tocris-1100, (S)-()-Camptothecin, SpecPlus_000712, Prestwick0_000200, Prestwick1_000200, Prestwick2_000200, Prestwick3_000200

Molecular Formula: C20H16N2O4Molecular Weight: 348.352040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: VSJKWCGYPAHWDS-FQEVSTJZSA-N

• Capecitabine
IUPAC Name: pentyl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate | CAS Registry Number: 154361-50-9
Synonyms: Xeloda, CAPECITABINE, Capecitabine [USAN], Xeloda (TN), Capecitabine (JAN/USAN/INN), C15H22FN3O6, Ro 09-1978, DB01101, Ro-09-1978, LS-59070, N(4)-Pentyloxycarbonyl-5'-deoxy-5-fluorocytidine, Ro 09-1978/000, R-340, 5'-Deoxy-5-fluoro-N-((pentyloxy)carbonyl)cytidine, C12650, D01223, C110904, Cytidine, 5'-deoxy-5-fluoro-N-((pentyloxy)carbonyl)-, Pentyl 1-(5-deoxy-beta-D-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinecarbamate, Carbamic acid, (1-(5-deoxy-beta-D-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinyl)-, pentyl ester

Molecular Formula: C15H22FN3O6Molecular Weight: 359.350083 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: GAGWJHPBXLXJQN-UORFTKCHSA-N

• Carboplatin
IUPAC Name: azane; cyclobutane-1,1-dicarboxylic acid; platinum(2+) | CAS Registry Number: 41575-94-4
Synonyms: carboplatin, Paraplatin, Cbdca, Carboplatine [French], Carboplatinum [Latin], Carboplatino [Spanish], CCRIS 3404, JM 8, CHEBI:31355, HSDB 6957, Carboplatin [USAN:BAN:INN:JAN], EINECS 255-446-0, NSC 201345, NSC 241240, NSC-241240, EU-0100230, cis-Diammine(1,1-cyclobutanedicarboxylato)platinum, cis-(1,1-Cyclobutanedicarboxylato)diammineplatinum(II), cis-Diammine(1,1-cyclobutanedicarboxylato)platinum(II), 1,1-Cyclobutanedicarboxylate diammine platinum(II)

Molecular Formula: C6H14N2O4Pt+2Molecular Weight: 373.264360 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 6

InChIKey: OLESAACUTLOWQZ-UHFFFAOYSA-N

• Caspofungin
Synonyms: Cancidas, Caspofungin [INN], Cancidas (TN), Caspofungin (INN), UNII-F0XDI6ZL63, HSDB 7476, CHEBI:474180, CID151068, LS-186994, LS-187635, D07626, (4R,5S)-5-((2-Aminoethyl)amino)-N(sup 2)-(10,12-dimethyltetradecanoyl)-4-hydroxy-L-ornithyl-L-threonyl-trans-4-hydroxy-L-prolyl-(S)-4-hydroxy-4-(p-hydroxyphenyl)-L-threonyl-threo-3-hydroxy-L-ornithyl-trans-3-hydroxy-L-proline cyclic (6-1)-peptide

Molecular Formula: C52H88N10O15Molecular Weight: 1093.313120 [g/mol]
H-Bond Donor: 16H-Bond Acceptor: 18

InChIKey: JYIKNQVWKBUSNH-FMIIYRCSSA-N

• Cediranib
IUPAC Name: 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline | CAS Registry Number: 288383-20-0
Synonyms: Recentin, AZD2171, AZD-2171, AZD 2171, S1017_Selleck, Kinome_3318, Cediranib (USAN/INN), UNII-NQU9IPY4K9, CHEMBL491473, AZD2171, Recentin, Cediranib, 4-(4-Fluoro-2-methylindol-5-yloxy)-6-methoxy-7-[3-(pyrrolidin-1-yl)propoxy]quinazoline, AKOS005145767, NSC-732208, ZD-2171, M6294, D08881, 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-[3-(pyrrolidin-1-yl)propoxy]quinazoline, 790713-41-6, Quinazoline, 4-((4-fluoro-2-methyl-1H-indol-5-yl)oxy)-6-methoxy-7-(3-(1-pyrrolidinyl)propoxy)-, Cadiranib

Molecular Formula: C25H27FN4O3Molecular Weight: 450.505283 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: XXJWYDDUDKYVKI-UHFFFAOYSA-N

• Cefcapene Pivoxil Hydrochloride
IUPAC Name: 2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[[(E)-2-(2-amino-1,3-thiazol-4-yl)pent-2-enoyl]amino]-3-(carbamoyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrate hydrochloride | CAS Registry Number: 147816-24-8
Synonyms: Cefcapene pivoxil hydrochloride, CID6448761, S 1108, LS-149933, 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-(((aminocarbonyl)oxy)methyl)-7-((2-(2-amino-4-thiazolyl)-1-oxo-2-pentenyl)amino)-8-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester,(6R-(6-alpha,7-beta(Z)))-, monohydrochloride, hydrate

Molecular Formula: C23H32ClN5O9S2Molecular Weight: 622.111280 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 11

InChIKey: LUXIJPQYUCFVAL-KRBKXCMGSA-N

• Celastrol
IUPAC Name: (2R,4aS,6aS,6aR,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylic acid | CAS Registry Number: 34157-83-0
Synonyms: celastrol, Tripterine, Tripterin, Spectrum_000335, Spectrum2_000150, Spectrum3_000233, Spectrum4_001966, Spectrum5_000805, BSPBio_001905, Celastrol, Celastrus scandens, KBioGR_002436, KBioSS_000815, SPECTRUM201664, DivK1c_000718, SPBio_000260, NSC70931, KBio1_000718, KBio2_000815, KBio2_003383, KBio2_005951

Molecular Formula: C29H38O4Molecular Weight: 450.609620 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: KQJSQWZMSAGSHN-JJWQIEBTSA-N

• Cetrorelix
IUPAC Name: (2S)-1-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-pyridin-3-ylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]-N-[(2R)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide | CAS Registry Number: 120287-85-6
Synonyms: Cetrotide, Cetrotide (TN), Cetrorelix (INN), AIDS085159, AIDS-085159, D07665, Ac-D-Nal(2)-D-Phe(pCl)-D-Pal(3)-Ser-Tyr-D-Cit-Leu-Arg-Pro-D-Ala-NH2, CET, N-acetyl-3-(2-naphthyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(3-pyridyl)-D-alanyl-L-seryl-L-tyrosyl-N5-carbomoyl-D-ornithyl-L-leucyl-L-prolyl-D-alaninamide

Molecular Formula: C70H92ClN17O14Molecular Weight: 1431.037980 [g/mol]
H-Bond Donor: 16H-Bond Acceptor: 18

InChIKey: SBNPWPIBESPSIF-MHWMIDJBSA-N

• Cinacalcet
IUPAC Name: N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine | CAS Registry Number: 226256-56-0
Synonyms: Cinacalcet [INN], Cinacalcet (USAN), UNII-UAZ6V7728S, nchembio.2007.55-comp29, AMG073, CHEBI:48390, HSDB 7318, AMG 073, 364782-34-3 (Hydrochloride), CID156419, DB01012, NCGC00181002-01, LS-187374, TL8001899, D03504, N-((1R)-1-(1-Naphthyl)ethyl)-3-(3-(trifluoromethyl)phenyl)propan-1-amine, N-[(1R)-1-(1-naphthyl)ethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine, (R)-alpha-methyl-N-[3-[3-(trifluoromethyl)phenyl]propyl]-1-naphthalenemethane amine, (R)-N-(1-(Naphthalen-1-yl)ethyl)-3-(3-(trifluoromethyl)phenyl)propan-1-amine, N-((1R)-1-(Naphthalen-1-yl)ethyl)-3-(3-(trifluoromethyl)phenyl)propan-1-amine

Molecular Formula: C22H22F3NMolecular Weight: 357.411990 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: VDHAWDNDOKGFTD-MRXNPFEDSA-N


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