Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B1IA8R
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| Binder Name |
5-[1-[3-Carboxy-4-[[4-(4-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-(4-carboxyphenyl)phenyl]methoxy]-3-chlorobenzoic acid
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| Synonyms |
CHEMBL3138383
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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=C(C=C7)C(=O)O)C(=O)O)C8=CC(=C(C(=C8)Cl)OCC9=CC=C(C=C9)C1=CC=C(C=C1)C(=O)O)C(=O)O)C)C
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| InChI |
1S/C73H80Cl2O10/c1-43(2)8-6-9-44(3)61-30-31-62-58-29-28-56-36-45(32-34-72(56,4)63(58)33-35-73(61,62)5)10-7-11-57(54-37-59(70(80)81)66(64(74)39-54)84-41-46-12-16-48(17-13-46)50-20-24-52(25-21-50)68(76)77)55-38-60(71(82)83)67(65(75)40-55)85-42-47-14-18-49(19-15-47)51-22-26-53(27-23-51)69(78)79/h11-27,37-40,43-45,56,58,61-63H,6-10,28-36,41-42H2,1-5H3,(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 |
GFNFIBYOYHHFNB-PMHSFICHSA-N
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| PubChem Compound ID | ||||
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