General Information of the Compound
| Compound ID |
CP0459662
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| Compound Name |
N-[[2-cyclohexylsulfanyl-6-(trifluoromethyl)pyridin-3-yl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-phenylacetamide
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| Structure |
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| Formula |
C28H29F4N3O3S2
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| Molecular Weight |
595.684
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| Canonical SMILES |
CS(=O)(=O)Nc1ccc(cc1F)C(C(=O)NCc1ccc(nc1SC1CCCCC1)C(F)(F)F)c1ccccc1
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| InChI |
InChI=1S/C28H29F4N3O3S2/c1-40(37,38)35-23-14-12-19(16-22(23)29)25(18-8-4-2-5-9-18)26(36)33-17-20-13-15-24(28(30,31)32)34-27(20)39-21-10-6-3-7-11-21/h2,4-5,8-9,12-16,21,25,35H,3,6-7,10-11,17H2,1H3,(H,33,36)
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| InChIKey |
BRNKWEOOMIDNEM-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