Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L46AIE
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| Ligand Name |
trans-4-[(3aR,9bR)-8-cyano-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]cyclohexane-1-carboxylic acid
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| Synonyms |
CHEMBL4752644; trans-4-[(3aR,9bR)-8-cyano-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]cyclohexane-1-carboxylic acid; BDBM50553582; VK7
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| Structure |
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Download2D MOL |
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| Formula |
C30H26F8N2O5S
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| Canonical SMILES |
C1CC(CCC1C(=O)N2CCC3(C2CCC4=CC(=C(C=C43)C#N)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/C30H26F8N2O5S/c31-20-6-8-21(9-7-20)46(44,45)27-11-12-40(25(41)16-1-3-17(4-2-16)26(42)43)24(27)10-5-18-13-23(19(15-39)14-22(18)27)28(32,29(33,34)35)30(36,37)38/h6-9,13-14,16-17,24H,1-5,10-12H2,(H,42,43)/t16?,17?,24-,27-/m1/s1
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| InChIKey |
SHXNYZOAPQIDHP-XYGXQVBUSA-N
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| PubChem Compound ID | ||||
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