General Information of the Compound
| Compound ID |
CP0415803
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| Compound Name |
N-[[2-(4,4-difluorocyclohexyl)-6-(trifluoromethyl)pyridin-3-yl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
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| Structure |
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| Formula |
C23H25F6N3O3S
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| Molecular Weight |
537.526
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| Canonical SMILES |
CC(C(=O)NCc1ccc(nc1C1CCC(F)(F)CC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C23H25F6N3O3S/c1-13(15-3-5-18(17(24)11-15)32-36(2,34)35)21(33)30-12-16-4-6-19(23(27,28)29)31-20(16)14-7-9-22(25,26)10-8-14/h3-6,11,13-14,32H,7-10,12H2,1-2H3,(H,30,33)
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| InChIKey |
QQZRELFGIGFPBH-UHFFFAOYSA-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