Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BTNP16
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| Binder Name |
5-[1-[3-Carboxy-4-[(4-carboxyphenyl)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]butyl]-2-[(4-carboxyphenyl)methoxy]-3-chlorobenzoic acid
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| Synonyms |
CHEMBL3138378
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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 |
C61H74Cl2O10
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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)CCCC(C5=CC(=C(C(=C5)Cl)OCC6=CC=C(C=C6)C(=O)O)C(=O)O)C7=CC(=C(C(=C7)Cl)OCC8=CC=C(C=C8)C(=O)O)C(=O)O)C)C
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| InChI |
1S/C61H74Cl2O10/c1-35(2)8-6-9-36(3)49-22-23-50-46-21-20-44-28-37(24-26-60(44,4)51(46)25-27-61(49,50)5)10-7-11-45(42-29-47(58(68)69)54(52(62)31-42)72-33-38-12-16-40(17-13-38)56(64)65)43-30-48(59(70)71)55(53(63)32-43)73-34-39-14-18-41(19-15-39)57(66)67/h12-19,29-32,35-37,44-46,49-51H,6-11,20-28,33-34H2,1-5H3,(H,64,65)(H,66,67)(H,68,69)(H,70,71)/t36?,37-,44?,46-,49+,50-,51-,60-,61+/m0/s1
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| InChIKey |
HPDRPFNZBMXBHZ-HVTBPORMSA-N
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| PubChem Compound ID | ||||
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