Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LB39TO
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| Ligand Name |
Unii-2wqx2MS3MQ
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| Synonyms |
BMS-986251; UNII-2WQX2MS3MQ; 2WQX2MS3MQ; (1R,3S,4R)-4-((3aR,9bR)-9b-((4-Fluorophenyl)sulfonyl)-7-(perfluoropropan-2-yl)-2,3,3a,4,5,9b-hexahydro-1H-benzo(E)indole-3-carbonyl)-3-methylcyclohexane-1-carboxylic acid; (1R,3S,4R)-4-[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]-3-methylcyclohexane-1-carboxylic acid; 2041841-30-7; CHEMBL4634542; SCHEMBL19592747; EX-A6152; BDBM50541922; HY-136527; CS-0130012; 2460133-35-9; R7V
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| Structure |
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Download2D MOL |
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| Formula |
C30H29F8NO5S
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| Canonical SMILES |
CC1CC(CCC1C(=O)N2CCC3(C2CCC4=C3C=CC(=C4)C(C(F)(F)F)(C(F)(F)F)F)S(=O)(=O)C5=CC=C(C=C5)F)C(=O)O
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| InChI |
1S/C30H29F8NO5S/c1-16-14-18(26(41)42)2-9-22(16)25(40)39-13-12-27(45(43,44)21-7-5-20(31)6-8-21)23-10-4-19(15-17(23)3-11-24(27)39)28(32,29(33,34)35)30(36,37)38/h4-8,10,15-16,18,22,24H,2-3,9,11-14H2,1H3,(H,41,42)/t16-,18+,22+,24+,27+/m0/s1
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| InChIKey |
JQORWGARJVSRBA-QOTTZFGFSA-N
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| PubChem Compound ID | ||||
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