Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BWQY20
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| Binder Name |
5-[1-[3-Carboxy-5-[(3-carboxy-4-methoxybenzoyl)amino]-4-methoxyphenyl]-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]-3-[(3-carboxy-4-methoxybenzoyl)amino]-2-methoxybenzoic acid
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| Synonyms |
CHEMBL3138342
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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 |
C65H80N2O14
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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)NC(=O)C6=CC(=C(C=C6)OC)C(=O)O)OC)C(=O)O)C7=CC(=C(C(=C7)NC(=O)C8=CC(=C(C=C8)OC)C(=O)O)OC)C(=O)O)C)C
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| InChI |
1S/C65H80N2O14/c1-35(2)12-10-13-36(3)49-20-21-50-44-19-18-42-28-37(24-26-64(42,4)51(44)25-27-65(49,50)5)14-11-15-43(40-31-47(62(74)75)56(80-8)52(33-40)66-58(68)38-16-22-54(78-6)45(29-38)60(70)71)41-32-48(63(76)77)57(81-9)53(34-41)67-59(69)39-17-23-55(79-7)46(30-39)61(72)73/h15-17,22-23,29-37,42,44,49-51H,10-14,18-21,24-28H2,1-9H3,(H,66,68)(H,67,69)(H,70,71)(H,72,73)(H,74,75)(H,76,77)/t36?,37-,42?,44-,49+,50-,51-,64-,65+/m0/s1
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| InChIKey |
QLQSFWWDGAOSFG-SLAGLEOVSA-N
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| PubChem Compound ID | ||||
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