General Information of the Compound
| Compound ID |
CP0496108
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| Compound Name |
N-[(3S)-1-[(1S,2R,4R)-2-(benzenesulfonylmethyl)-4-[methyl(propan-2-yl)amino]cyclohexyl]-4,4-dimethyl-2-oxopyrrolidin-3-yl]-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C31H40F3N3O4S
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| Molecular Weight |
607.739
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| Canonical SMILES |
CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)c2ccccc2)C1)N1CC(C)(C)[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O
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| InChI |
InChI=1S/C31H40F3N3O4S/c1-20(2)36(5)24-14-15-26(22(17-24)18-42(40,41)25-12-7-6-8-13-25)37-19-30(3,4)27(29(37)39)35-28(38)21-10-9-11-23(16-21)31(32,33)34/h6-13,16,20,22,24,26-27H,14-15,17-19H2,1-5H3,(H,35,38)/t22-,24+,26-,27+/m0/s1
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| InChIKey |
FMQBTPGTROTRJJ-UICHKGEESA-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