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Shanghai Yingxuan Chempharm Co., Ltd.

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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.

1 to 50 of 331 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

• ABT-263
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, 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

• ABT-869 (Linifanib)
IUPAC Name: 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea | CAS Registry Number: 796967-16-3
Synonyms: ABT-869, ABT 869, CHEBI:471147, CID11485656, EC-000.2119, N-(4-(3-Amino-1H-indazol-4-yl)phenyl)-N'-(2-fluoro-5-methylphenyl)urea, 1-(4-(3-amino-1H-indazol-4-yl)phenyl)-3-(2-fluoro-5-methylphenyl)urea, N-(4-(3-Amino-1H-indazol-4-yl)phenyl)-N1-(2-fluoro-5-methylphenyl)urea, N-[4-(3-amino-1H-indazol-4-yl)phenyl]-N'-(2-fluoro-5-methylphenyl)urea, Urea, N-(4-(3-amino-1H-indazol-4-yl)phenyl)-N'-(2-fluoro-5-methylphenyl)-

Molecular Formula: C21H18FN5OMolecular Weight: 375.398923 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 4

InChIKey: MPVGZUGXCQEXTM-UHFFFAOYSA-N

• AC220
IUPAC Name: 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[6-(2-morpholin-4-ylethoxy)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenyl]urea | CAS Registry Number: 950769-58-1
Synonyms: Quizartinib, AC-220, AC 220, AC010220, AC-220, AC220, AC220,Quizartinib, S1526_Selleck, AC220 - Quizartinib, SureCN72923, Quizartinib (USAN/INN), Quizartinib [USAN:INN], cc-62, UNII-7LA4O6Q0D3, CHEMBL576982, CHEBI:673133, BCPP000443, HMS3244K09, HMS3244K10, HMS3244L09, HMS3265G09

Molecular Formula: C29H32N6O4SMolecular Weight: 560.667180 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: CVWXJKQAOSCOAB-UHFFFAOYSA-N

• Acivicin
IUPAC Name: (2S)-2-amino-2-[(5S)-3-chloro-4,5-dihydro-1,2-oxazol-5-yl]acetic acid | CAS Registry Number: 42228-92-2
Synonyms: acivicin, ACIA, Antibiotic AT 125, Spectrum_000343, Acivicin (USAN/INN), Spectrum3_001857, Spectrum4_000902, Spectrum5_001706, NCIMech_000028, BSPBio_003274, KBioGR_001364, KBioSS_000823, DivK1c_000672, SPECTRUM1502002, NSC163501, NChemBio.2007.10-comp18, KBio1_000672, KBio2_000823, KBio2_003391, KBio2_005959

Molecular Formula: C5H7ClN2O3Molecular Weight: 178.573680 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: QAWIHIJWNYOLBE-OKKQSCSOSA-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

• Ambrisentan
IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)oxy-3-methoxy-3,3-di(phenyl)propanoic acid | CAS Registry Number: 177036-94-1
Synonyms: Letairis, Ambrisentan [INN], Gilead brand of ambrisentan, MLS001195278, BSF-208075, BSF 208075, LU 208075, LU-208075, BSF208075, CID197712, STK097095, NCGC00160662-01, LU208075, SMR000502713, LS-186563, LS-187364, C467894, 2-(4,6-dimethylpyrimidin-2-yl)oxy-3-methoxy-3,3-diphenyl-propanoic acid, (+-)-(2S)-2-((4,6-Dimethylpyrimidin-2-yl)oxy)-3-methoxy-3,3-diphenylpropanoic acid

Molecular Formula: C22H22N2O4Molecular Weight: 378.421080 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: OUJTZYPIHDYQMC-UHFFFAOYSA-N

• AMPPD
IUPAC Name: [3-(3'-methoxyspiro[adamantane-2,4'-dioxetane]-3'-yl)phenyl] dihydrogen phosphate | CAS Registry Number: 122341-56-4
Synonyms: Ppd-substrate, CID64599, 4-Methoxy-4-(3-phosphatephenyl)spiro(1,2-dioxetane)-3,2'-adamantane, 3-(2'-Spiroadamantane)-4-methoxy-4-(3''-phosphoryloxy)phenyl-1,2-dioxetane, 3-(4-Methoxyspiro(1,2-dioxetane-3,2'-tricyclo(3.3.1.1(3,7))decan)-4-yl)phenyl phosphate, Phenol, 3-(4-methoxyspiro(1,2-dioxetane-3,2'-tricyclo(3.3.1.1(3,7))decan)-4-yl)-, dihydrogen phosphate

Molecular Formula: C18H23O7PMolecular Weight: 382.344781 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: XYIPYISRNJUPBA-UHFFFAOYSA-N

• Amygdalin
IUPAC Name: (2R)-2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyacetonitrile | CAS Registry Number: 29883-15-6
Synonyms: amygdalin, D-Amygdalin, (R)-Laenitrile, (R)-Amygdaloside, (R)-Amygdalin, STOCK1N-52529, CHEBI:17019, SMP1_000103, D(-)-Mandelonitrile-beta-D-gentiobioside, (-)-D-mandelonitrile beta-D-gentiobioside, TL8002322, C08325, D-Mandelonitrile-beta-D-glucosido-6-beta-D-glucoside, (2R)-[(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy](phenyl)acetonitrile

Molecular Formula: C20H27NO11Molecular Weight: 457.428480 [g/mol]
H-Bond Donor: 7H-Bond Acceptor: 12

InChIKey: XUCIJNAGGSZNQT-JHSLDZJXSA-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

• Anamorelin
IUPAC Name: 2-amino-N-[(2R)-1-[(3R)-3-benzyl-3-[dimethylamino(methyl)carbamoyl]piperidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide | CAS Registry Number: 249921-19-5
Synonyms: UNII-DD5RBA1NKF, RC 1291, Anamorelin [INN], DD5RBA1NKF, SureCN935751, ONO7643, ONO 7643, ONO-7643, DCL000049, RC1291, CS-1036, HY-14734, Anamorelin|249921-19-5|ONO-7643|RC1291|ONO7643|RC 1291|ONO 7643, 3-Piperidinecarboxylic acid, 1-(2-methylalanyl-D-tryptophyl)-3-(phenylmethyl)-, trimethylhydrazide, (3R)-

Molecular Formula: C31H42N6O3Molecular Weight: 546.703580 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: VQPFSIRUEPQQPP-MXBOTTGLSA-N

• Andrographolide
IUPAC Name: (3E)-3-[2-[(1R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-4-hydroxyoxolan-2-one | CAS Registry Number: 5508-58-7
Synonyms: Andrographis, EINECS 226-852-5, NSC 383468, C20H30O5, CID6436016, LS-70361, 2(3H)-Furanone, 3-(2-(decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl)ethylidene)dihydro-4-hydroxy-, (1R-(1-alpha(E(S*)),4a-beta,5-alpha,6-alpha,8a-alpha))-, 3-(2-(Decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenenaphthyl)ethylidene)dihydro-4-hydroxyfuran-2(3H)-one

Molecular Formula: C20H30O5Molecular Weight: 350.449200 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: BOJKULTULYSRAS-ZJFCSBQFSA-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

• Anidulafungin
Synonyms: Eraxis, Eraxis (TN), Anidulafungin (USAN), D03211

Molecular Formula: C58H73N7O17Molecular Weight: 1140.236920 [g/mol]
H-Bond Donor: 14H-Bond Acceptor: 17

InChIKey: JHVAMHSQVVQIOT-SYUWSXCKSA-N

• Antibiotic Ji-20a
IUPAC Name: 2-[4,6-diamino-3-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol | CAS Registry Number: 51846-97-0
Synonyms: Antibiotic JI 20A, JI-20 A, BRN 1668513, LS-147000, D-Streptamine, O-3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1-6)-O-(2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl-(1-4))-2-deoxy-

Molecular Formula: C19H39N5O9Molecular Weight: 481.541060 [g/mol]
H-Bond Donor: 10H-Bond Acceptor: 14

InChIKey: YQGZDAPJXRYYLX-UHFFFAOYSA-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

• Astragalus Extract
Synonyms: C41H68O14, LS-177832, 3beta,6alpha,16beta,20R,24S; astragaloside IV of astragaloside A, beta-D-Glucopyranoside, (3beta,6alpha,16beta,20R,24S)-20,24-epoxy-16,25-dihydroxy-3-(beta-D-xylopyranosyloxy)-9,19-cyclolanostan-6-yl

Molecular Formula: C41H68O14Molecular Weight: 784.970220 [g/mol]
H-Bond Donor: 9H-Bond Acceptor: 14

InChIKey: QMNWISYXSJWHRY-CSXKERSZSA-N

• Atazanavir
IUPAC Name: methyl N-[(2S)-1-[[(2S,3S)-3-hydroxy-4-[[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-[(4-pyridin-2-ylphenyl)methyl]amino]-1-phenylbutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate | CAS Registry Number: 198904-31-3
Synonyms: Latazanavir, Zrivada, Reyataz, Atazanavir sulfate, 2aqu, Atazanavir (INN), Reyataz (TN), Atazanavir [INN:BAN], Reyataz (*1:1 sulfate*), BMS 232632, BMS-232632, CHEBI:37924, HSDB 7339, CGP 73547, AIDS057755, AIDS-057755, CGP-73547, CID148192, DB01072, LS-183909

Molecular Formula: C38H52N6O7Molecular Weight: 704.855480 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 9

InChIKey: AXRYRYVKAWYZBR-GASGPIRDSA-N

• Atazanavir Sulfate
IUPAC Name: methyl N-[(2S)-1-[[(2S,3S)-3-hydroxy-4-[[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-[(4-pyridin-2-ylphenyl)methyl]amino]-1-phenylbutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate; sulfuric acid | CAS Registry Number: 229975-97-7
Synonyms: Reyataz, Atazanavir sulfate, Zrivada, Atanazavir sulfate, Reyataz (TN), Atazanavir sulfate [USAN], Atazanavir sulfate (JAN/USAN), BMS-232632-05, CGP-73547, CID158550, BMS-232632, LS-186585, D01276, 2,5,6,10,13-Pentaazatetradecanedioic acid, 3,12-bis(1,1-dimethylethyl)-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-((4-(2-pyridinyl)phenyl)methyl)-, dimethyl ester, (3S,8S,9S,12S)-, sulfate (1:1) (salt), 2,5,6,10,13-Pentaazatetradecanedioic acid, 3-12-bis(1,1-dimethylethyl)-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-((-4-(2-pyridinyl)phenyl)methyl)-, dimethyl ester, (3S,8S,9S,12S)-, sulfate (1:1) (salt), Dimethyl (3S,8S,9S,12S)-9-benzyl-3,12,di-tert-butyl-8-hydroxy-4,11-dioxo-6-(p-2-pyridylbenzyl)-2,5,6,10,13-pentaazatetradecanedioate, sulfate (1:1) (salt)

Molecular Formula: C38H54N6O11SMolecular Weight: 802.933960 [g/mol]
H-Bond Donor: 7H-Bond Acceptor: 13

InChIKey: DQSGVVGOPRWTKI-QVFAWCHISA-N

• Atocalcitol
IUPAC Name: (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-1-[[3-(2-hydroxypropan-2-yl)phenyl]methoxy]propan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol | CAS Registry Number: 302904-82-1
Synonyms: Atocalcitolum, Atocalcitol [INN], Atocalcitolum [INN-Latin], UNII-PR3292R3H7, CID6445225, (1S,3R,5Z,7E,20R)-20-(3-(2-Hydroxypropan-2-yl)benzyloxymethyl)-9,10-secopregna-5,7,10(19)-triene-1alpha,3beta-diol

Molecular Formula: C32H46O4Molecular Weight: 494.705240 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: CFIFSLBCJAXYTC-FJLAUVHZSA-N

• Aucubin
IUPAC Name: (2S,3R,4S,5S,6R)-2-[[(1S,4aR,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol | CAS Registry Number: 479-98-1
Synonyms: Ambap2262, MEGxp0_001729, 55561_FLUKA, ACon1_002452, EINECS 207-540-8, AIDS031379, NSC 407293, AIDS-031379, CID91458, LMPR01020107, NSC407293, ZINC04098334, NCGC00169833-01, LS-183147, C09771, 1,4a,5,7a-Tetrahydro-5-hydroxy-7-hydroxymethylcyclopenta(c)pyran-1-yl-beta-D-glucopyranoside, (1S-(1alpha,4aalpha,5alpha,7aalpha))-1,4a,5,7a-Tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta(c)pyran-1-yl-beta-D-glucopyranoside, (2S,3R,4S,5S,6R)-2-((1S,4aR,5R,7aS)-5-Hydroxy-7-hydroxymethyl-1,4a,5,7a-tetrahydro-cyclopenta[c]pyran-1-yloxy)-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol

Molecular Formula: C15H22O9Molecular Weight: 346.329780 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 9

InChIKey: RJWJHRPNHPHBRN-FKVJWERZSA-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

• AZD2281 (Olaparib, KU-0059436)
IUPAC Name: 4-[[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one | CAS Registry Number: 937799-91-2
Synonyms: Olaparib, Acylpiperazine analogue, 47, AZD-2281, AZD2281, CHEBI:569866, AZD 2281, KU-0059436, EN002690, KU-59436, TC-064620, 763113-22-0, 4-[3-(4-Cyclopropanecarbonyl-piperazine-1-carbonyl)-4-fluoro-benzyl]-2H-phthalazin-1-one, 1-(Cyclopropylcarbonyl)-4-[5-[(3,4-dihydro-4-oxo-1-phthalazinyl)methyl]-2-fluorobenzoyl]piperazine, 4-[[3-[4-(Cyclopropanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one

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

InChIKey: FDLYAMZZIXQODN-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

• Benzeneacetonitrile, 4-[2,3-dihydro-3-methyl-2-oxo-8-(3-quinolinyl)-1H-imidazo[4,5-c]quinolin-1-yl]-a,a-dimethyl-
IUPAC Name: 2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile | CAS Registry Number: 915019-65-7
Synonyms: NVP-BEZ235, BEZ235, BEZ-235, NVP-BEZ 235, BEZ 235, NVPBEZ235, 2-methyl-2-(4-(3-methyl-2-oxo-8-(quinolin-3-yl)-2,3-dihydro-1H-imidazo[4,5-c]quinolin-1-yl)phenyl)propanenitrile, NVP BEZ235, S1009_Selleck, Kinome_2911, NVP-BEZ-235, CHEBI:71952, MolPort-005-737-784, NVP-BEZ235, BEZ235, ZINC24760115, ST51056474, 2-Methyl-2-[4-[3-methyl-2-oxo-8-(quinolin-3-yl)-2,3-dihydroimidazo[4,5-c]quinolin-1-yl]phenyl]propionitrile, S14-0511, dactolisib, 2-(4-(2,3-dihydro-3-methyl-2-oxo-8-(quinolin-3-yl)imidazo[4,5-c]quinolin-1-yl)phenyl)-2-methylpropanenitrile

Molecular Formula: C30H23N5OMolecular Weight: 469.536520 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: JOGKUKXHTYWRGZ-UHFFFAOYSA-N

• Benzenesulfonic Acid, 2-Methyl-5-Nitro-, 2-[(6-Bromoimidazo[1,2-A]pyridin-3-Yl)methylene]-1-Methylhydrazide
IUPAC Name: N-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methylideneamino]-N,2-dimethyl-5-nitrobenzenesulfonamide | CAS Registry Number: 372196-67-3
Synonyms: PIK-75, SureCN6219739, CTK8E6737, HMS3244E07, HMS3244E08, HMS3244F07, NCGC00346500-01

Molecular Formula: C16H14BrN5O4SMolecular Weight: 452.282460 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 7

InChIKey: QTHCAAFKVUWAFI-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

• Betulin
IUPAC Name: (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-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]chrysen-9-ol | CAS Registry Number: 473-98-3
Synonyms: Betulinol, Trochol, Betuline, Betulol, Messagenin, Triterpenoid, Betulinic alcohol, Betulin, 23, Ambap4788, Prestwick3_000990, BSPBio_001059, NSC 4644, B9757_SIGMA, Lup-20(29)-ene-3beta,28-diol, BPBio1_001165, MEGxp0_001726, ACon1_000091, EINECS 207-475-5, Lup-20(30)-ene-3beta,28-diol, NSC4644

Molecular Formula: C30H50O2Molecular Weight: 442.716800 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: FVWJYYTZTCVBKE-ROUWMTJPSA-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

• BIBF 1120
IUPAC Name: methyl (3Z)-3-[[4-[methyl-[2-(4-methylpiperazin-1-yl)acetyl]amino]anilino]-phenylmethylidene]-2-oxo-1H-indole-6-carboxylate | CAS Registry Number: 928326-83-4
Synonyms: Vargatef, BIBF-1120, BIBF1120, Nintedanib, Vargatef, BIBF1120, (Z)-methyl 3-((4-(N-methyl-2-(4-methylpiperazin-1-yl)acetamido)phenylamino)(phenyl)methylene)-2-oxoindoline-6-carboxylate, 656247-17-5, S1010_Selleck, BIBF1120,Vargatef, PubChem20543, Bibf1120 - Vargatef, Nintedanib (USAN/INN), Vargatef, BIBF 1120, cc-88, SureCN431006, CHEMBL502835, QCR-43, CHEBI:622730, RS0107, AKOS005145820

Molecular Formula: C31H33N5O4Molecular Weight: 539.624820 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: XZXHXSATPCNXJR-ZIADKAODSA-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

• BMS-599626 (CAS: 8173837-23-1)
• BMS777607
IUPAC Name: N-[4-(2-amino-3-chloropyridin-4-yl)oxy-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide | CAS Registry Number: 1196681-44-3
Synonyms: BMS-777607, BMS 777607, 1025720-94-8, N-(4-(2-Amino-3-chloropyridin-4-yloxy)-3-fluorophenyl)-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide, BMS777607, BMS-777607, BMS 777607, S1561_Selleck, UNII-A3MMS6HDO1, SureCN2588311, cc-417, CHEMBL460702, 3f82, MolPort-016-633-238, DNC009048, BCP9000432, CS-0227, EX-7213, QC-7244, RL00120, RL00767, NCGC00263157-01

Molecular Formula: C25H19ClF2N4O4Molecular Weight: 512.892566 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: VNBRGSXVFBYQNN-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

• Brivanib
IUPAC Name: [(2R)-1-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-yl] (2S)-2-aminopropanoate | CAS Registry Number: 649735-63-7
Synonyms: Brivanib alaninate, BMS-582664, BMS582664, BMS 582664, BMS-582664, 649735-63-7, SureCN483382, cc-420, Brivanib alaninate,BMS-582664, Brivanib alaninate (BMS-582664), Brivanib alaninate (JAN/USAN/INN), Brivanib alaninate - BMS-582664, CS-0159, RL04475, HY-10336, FT-0663602, A20636, Brivanib alaninate-Supplied by Selleck Chemicals, Brivanib alaninate|649735-63-7|BMS 582664|BMS582664, (2R)-1-({4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl}oxy)propan-2-yl (2S)-2-aminopropanoate

Molecular Formula: C22H24FN5O4Molecular Weight: 441.455463 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: LTEJRLHKIYCEOX-OCCSQVGLSA-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

• CAL-101
IUPAC Name: 5-fluoro-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-4-one | CAS Registry Number: 870281-82-6
Synonyms: Idelalisib, CAL 101, GS-1101, CAL101, CHEMBL2216870, CAL-101, CAL101, (S)-2-(1-(9H-purin-6-ylamino)propyl)-5-fluoro-3-phenylquinazolin-4(3H)-one, 5-fluoro-3-phenyl-2-((1s)-1-(9h-purin-6-ylamino)propyl)-4(3h)-quinazolinone, 5-FLUORO-3-PHENYL-2-[(1S)-1-(9H-PURIN-6-YLAMINO)PROPYL]-4(3H)-QUINAZOLINONE, S2226_Selleck, Idelalisib [USAN:INN], cc-41, SureCN356400, UNII-YG57I8T5M0, QCR-36, GS-11CAL-101, MolPort-016-633-355, BCPP000307, GS1101, BCP9000471

Molecular Formula: C22H18FN7OMolecular Weight: 415.423023 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: IFSDAJWBUCMOAH-HNNXBMFYSA-N

• Calciferol
IUPAC Name: (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol | CAS Registry Number: 50-14-6
Synonyms: ergocalciferol, Viosterol, Calciferolum, Crystallina, Mulsiferol, Condocaps, Deltalin, Ercalciol, Ergorone, Fortodyl, Hyperkil, Mykostin, Radiostol, Radsterin, Sterogyl, Vigantol, Davitin, Deratol, Detalup, Diactol

Molecular Formula: C28H44OMolecular Weight: 396.648360 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: MECHNRXZTMCUDQ-RKHKHRCZSA-N

• Camostat Mesylate
IUPAC Name: [4-[2-[2-(dimethylamino)-2-oxoethoxy]-2-oxoethyl]phenyl] 4-(diaminomethylideneamino)benzoate; methanesulfonic acid | CAS Registry Number: 59721-29-8
Synonyms: Camostat mesylate, Foipan, camostat mesilate, Foipan (TN), Camostat mesilate (JP15), Camostat monomethanesulfonate, FOY-305, D01766, 4-(2-{[2-(dimethylamino)-2-oxoethyl]oxy}-2-oxoethyl)phenyl 4-{[amino(imino)methyl]amino}benzoate methanesulfonate

Molecular Formula: C21H26N4O8SMolecular Weight: 494.518140 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 11

InChIKey: FSEKIHNIDBATFG-UHFFFAOYSA-N

• Candicidine
IUPAC Name: (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-3-methyloct-1-enyl]cyclopentyl]hept-5-enoic acid | CAS Registry Number: 1403-17-4
Synonyms: CARBOPROST, 35700-23-3, UNII-7B5032XT6O, 15-Methyl-pgf2-alpha (alpha and beta), Carboprostum, 15-methyl-15S-PGF2alpha, 7B5032XT6O, Methyl-pgf2-alpha, Prostin 15M, 15-Methyl prostaglandin F2alpha, 15-Methyl-PGF2alpha, 15-ME-PGF2-alpha, 15-Methyl PGF2-alpha, Carboprostum [INN-Latin], Prosta-5,13-dien-1-oic acid, 15-methyl-9,11,15-trihydroxy-, (5Z,9-alpha,11-alpha,13E,15S)-, (+-)-, Carboprost [USAN:INN:BAN], (15S)-15-Methyl-PGF2alpha, 15-Methylprostaglandin F2-alpha, 15(S)-15-Methyl pgf2-alpha, 9S,11R,15S-trihydroxy-15-methyl-5Z,13E-prostadienoic acid

Molecular Formula: C21H36O5Molecular Weight: 368.500 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: DLJKPYFALUEJCK-IIELGFQLSA-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

• 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

• Celecoxib (Micronised/Non Micronised)
IUPAC Name: 4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide | CAS Registry Number: 184007-95-2
Synonyms: celecoxib, Celebrex, Celebra, Celocoxib, Celecox, Onsenal, Solexa, Celebrex (TN), Celecoxib [USAN], Spectrum_000432, 1oq5, Mack brand of celecoxib, Pfizer brand of celecoxib, Searle brand of celecoxib, Spectrum2_001576, Spectrum3_001996, Spectrum4_000182, Spectrum5_001324, Heumann brand of celecoxib, YM177

Molecular Formula: C17H14F3N3O2SMolecular Weight: 381.372170 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 8

InChIKey: RZEKVGVHFLEQIL-UHFFFAOYSA-N

• CGS 21680 HCL; 4-[2-[[6-AMINO-9-(N-ETHYL-SS-D-RIBOFURANURONAMIDOSYL)-9H- PURIN-2-YL]AMINO]ETHYL]PHENYLPROPANOIC ACID HCL
IUPAC Name: 3-[4-[2-[[6-amino-9-[(3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]amino]ethyl]phenyl]propanoic acid | CAS Registry Number: 124182-57-6
Synonyms: Cgs 21680, CHEBI:189466, CID104924, 2-(4-(2-Carboxyethyl)phenethylamino)-5'-N-ethylcarboxamidoadenosine, 120225-54-9, 160009-89-2, 3-(4-{2-[(R)-6-Amino-9-((3R,4S,5S)-5-ethylcarbamoyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-ylamino]-ethyl}-phenyl)-propionic acid, 4-(2-((6-Amino-9-(N-ethyl-beta-D-ribofuranuronamidosyl)-9H-purin-2-yl)amino)ethyl)benzenepropanoic acid, Benzenepropanoic acid, 4-(2-((6-amino-9-(N-ethyl-beta-D-ribofuranuronamidosyl)-9H-purin-2-yl)amino)ethyl)-

Molecular Formula: C23H29N7O6Molecular Weight: 499.519660 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 11

InChIKey: PAOANWZGLPPROA-OFRRTHGGSA-N

• CHIR-258 (TKI-258, Dovitinib)
IUPAC Name: (3E)-4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-ylidene]quinolin-2-one; 2-hydroxypropanoic acid; hydrate | CAS Registry Number: 915769-50-5
Synonyms: Dovitinib lactate, Dovitinib lactate (USAN), UNII-69VKY8P7EA, D08907

Molecular Formula: C24H29FN6O5Molecular Weight: 500.522663 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 11

InChIKey: NOGSKCDVWBOZAQ-VIPPSAFOSA-N

• Chlorogenic Acid
IUPAC Name: (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid | CAS Registry Number: 327-97-9
Synonyms: Chlorogenate, CHLOROGENIC ACID, Hlorogenic acid, Heriguard, 3-Caffeoylquinic acid, 3-O-Caffeoylquinic acid, Prestwick_112, Caffeoyl quinic acid, Chlorogenic acid hemihydrate, CAS:, Chlorogenic acid (8CI), Prestwick2_000427, Prestwick3_000427, Spectrum5_000733, CCRIS 1400, BSPBio_000414, BSPBio_003353, SPECTRUM210800, MLS002153805, C3878_SIGMA

Molecular Formula: C16H18O9Molecular Weight: 354.308720 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 9

InChIKey: CWVRJTMFETXNAD-JUHZACGLSA-N


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