Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BE84AC
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| Binder Name |
[(E)-3-Phenylprop-2-enyl] N-[(3R)-3-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl]carbamate
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| Synonyms |
CHEMBL1765565; BDBM50342396; 23-N-(carbocinnamyloxy)-3alpha,7alpha-dihydroxy-6alpha-ethyl-24-nor-5beta-cholan-23-amine
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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 |
C35H53NO4
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| Canonical SMILES |
CC[C@@H]1[C@@H]2C[C@@H](CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@@H]1O)CC[C@@H]4[C@H](C)CCNC(=O)OC/C=C/C5=CC=CC=C5)C)C)O
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| InChI |
1S/C35H53NO4/c1-5-26-30-22-25(37)15-18-35(30,4)29-16-19-34(3)27(13-14-28(34)31(29)32(26)38)23(2)17-20-36-33(39)40-21-9-12-24-10-7-6-8-11-24/h6-12,23,25-32,37-38H,5,13-22H2,1-4H3,(H,36,39)/b12-9+/t23-,25-,26-,27-,28+,29+,30+,31+,32-,34-,35-/m1/s1
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| InChIKey |
QTXXIIQHWKIYPJ-GSZOGNDYSA-N
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| PubChem Compound ID | ||||
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