General Information of the Compound
| Compound ID |
CP0529425
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| Compound Name |
N-[[2-cyclohexylsulfanyl-6-(trifluoromethyl)pyridin-3-yl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]-3-(4-methylphenyl)propanamide
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| Structure |
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| Formula |
C30H33F4N3O3S2
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| Molecular Weight |
623.738
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| Canonical SMILES |
Cc1ccc(CC(C(=O)NCc2ccc(nc2SC2CCCCC2)C(F)(F)F)c2ccc(NS(C)(=O)=O)c(F)c2)cc1
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| InChI |
InChI=1S/C30H33F4N3O3S2/c1-19-8-10-20(11-9-19)16-24(21-12-14-26(25(31)17-21)37-42(2,39)40)28(38)35-18-22-13-15-27(30(32,33)34)36-29(22)41-23-6-4-3-5-7-23/h8-15,17,23-24,37H,3-7,16,18H2,1-2H3,(H,35,38)
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| InChIKey |
RNPSJKRCTCAWGS-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