General Information of the Compound
| Compound ID |
CP0167981
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| Compound Name |
N-[2-[[(1S,3S,4R)-3-(benzenesulfonylmethyl)-4-[methyl(propan-2-yl)amino]cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C27H34F3N3O4S
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| Molecular Weight |
553.647
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| Canonical SMILES |
CC(C)N(C)[C@@H]1CC[C@@H](C[C@@H]1CS(=O)(=O)c1ccccc1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C27H34F3N3O4S/c1-18(2)33(3)24-13-12-22(15-20(24)17-38(36,37)23-10-5-4-6-11-23)32-25(34)16-31-26(35)19-8-7-9-21(14-19)27(28,29)30/h4-11,14,18,20,22,24H,12-13,15-17H2,1-3H3,(H,31,35)(H,32,34)/t20-,22+,24-/m1/s1
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| InChIKey |
FGXRYORWZGATHJ-JCTONOIOSA-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