Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B5YAW6
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| Binder Name |
5-[1-[3-Carboxy-4-[[4-(carboxymethyl)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-(carboxymethyl)phenyl]methoxy]-3-chlorobenzoic acid
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| Synonyms |
CHEMBL3138119
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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 |
C63H76Cl2O10
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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)CC(=O)O)C(=O)O)C7=CC(=C(C(=C7)Cl)OCC8=CC=C(C=C8)CC(=O)O)C(=O)O)C)C
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| InChI |
1S/C63H76Cl2O10/c1-37(2)8-6-9-38(3)51-22-23-52-48-21-20-46-28-39(24-26-62(46,4)53(48)25-27-63(51,52)5)10-7-11-47(44-31-49(60(70)71)58(54(64)33-44)74-35-42-16-12-40(13-17-42)29-56(66)67)45-32-50(61(72)73)59(55(65)34-45)75-36-43-18-14-41(15-19-43)30-57(68)69/h11-19,31-34,37-39,46,48,51-53H,6-10,20-30,35-36H2,1-5H3,(H,66,67)(H,68,69)(H,70,71)(H,72,73)/t38?,39-,46?,48-,51+,52-,53-,62-,63+/m0/s1
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| InChIKey |
QCJIIXGSUOMOPP-GFFJCRONSA-N
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| PubChem Compound ID | ||||
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