General Information of the Compound
| Compound ID |
CP0421113
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| Compound Name |
4-[(3aR,9bR)-9b-(4-fluorophenyl)sulfonyl-7-[[2-fluoro-6-(trifluoromethyl)phenyl]methoxy]-2,3a,4,5-tetrahydro-1H-benzo[e]indole-3-carbonyl]piperidine-1-carboxamide
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| Structure |
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| Formula |
C33H32F5N3O5S
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| Molecular Weight |
677.692
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| Canonical SMILES |
NC(=O)N1CCC(CC1)C(=O)N1CC[C@@]2([C@H]1CCc1cc(OCc3c(F)cccc3C(F)(F)F)ccc21)S(=O)(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C33H32F5N3O5S/c34-22-5-8-24(9-6-22)47(44,45)32-14-17-41(30(42)20-12-15-40(16-13-20)31(39)43)29(32)11-4-21-18-23(7-10-26(21)32)46-19-25-27(33(36,37)38)2-1-3-28(25)35/h1-3,5-10,18,20,29H,4,11-17,19H2,(H2,39,43)/t29-,32-/m1/s1
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| InChIKey |
YQXYCAHXEHLPQF-QLWXXVCSSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound