General Information of the Compound
| Compound ID |
CP0513962
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| Compound Name |
N-[(3S)-1-[(1S,2R,4R)-2-(benzenesulfonylmethyl)-4-[methyl(propan-2-yl)amino]cyclohexyl]-2-oxoazepan-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)N1CCCC[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O
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| InChI |
InChI=1S/C31H40F3N3O4S/c1-21(2)36(3)25-15-16-28(23(19-25)20-42(40,41)26-12-5-4-6-13-26)37-17-8-7-14-27(30(37)39)35-29(38)22-10-9-11-24(18-22)31(32,33)34/h4-6,9-13,18,21,23,25,27-28H,7-8,14-17,19-20H2,1-3H3,(H,35,38)/t23-,25+,27-,28-/m0/s1
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| InChIKey |
GLZYPKCZMYVDDL-WPLJCJQWSA-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