Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B1J9LA
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| Binder Name |
5-[1-[3-Carboxy-4-[[4-(3-carboxyphenyl)phenyl]methoxy]-5-chlorophenyl]-4-[(3S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]but-1-enyl]-2-[[4-(3-carboxyphenyl)phenyl]methoxy]-3-chlorobenzoic acid
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| Synonyms |
CHEMBL3138133
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| Binder Type |
Small molecular drug
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| Structure |
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Download2D MOL
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| Formula |
C73H80Cl2O10
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| Canonical SMILES |
CC(C)CCCC(C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@]3(CC[C@@H](C4)CCC=C(C5=CC(=C(C(=C5)Cl)OCC6=CC=C(C=C6)C7=CC(=CC=C7)C(=O)O)C(=O)O)C8=CC(=C(C(=C8)Cl)OCC9=CC=C(C=C9)C1=CC(=CC=C1)C(=O)O)C(=O)O)C)C
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| InChI |
1S/C73H80Cl2O10/c1-43(2)10-6-11-44(3)61-28-29-62-58-27-26-56-34-45(30-32-72(56,4)63(58)31-33-73(61,62)5)12-7-17-57(54-37-59(70(80)81)66(64(74)39-54)84-41-46-18-22-48(23-19-46)50-13-8-15-52(35-50)68(76)77)55-38-60(71(82)83)67(65(75)40-55)85-42-47-20-24-49(25-21-47)51-14-9-16-53(36-51)69(78)79/h8-9,13-25,35-40,43-45,56,58,61-63H,6-7,10-12,26-34,41-42H2,1-5H3,(H,76,77)(H,78,79)(H,80,81)(H,82,83)/t44?,45-,56?,58-,61+,62-,63-,72-,73+/m0/s1
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| InChIKey |
NQPVXKALNMFEKF-PMHSFICHSA-N
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| PubChem Compound ID | ||||
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