General Information of the Compound
| Compound ID |
CP0566648
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| Compound Name |
N-[[2-cyclohexylsulfanyl-6-(trifluoromethyl)pyridin-3-yl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-methylpropanamide
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| Structure |
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| Formula |
C24H29F4N3O3S2
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| Molecular Weight |
547.64
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| Canonical SMILES |
CC(C)(C(=O)NCc1ccc(nc1SC1CCCCC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C24H29F4N3O3S2/c1-23(2,16-10-11-19(18(25)13-16)31-36(3,33)34)22(32)29-14-15-9-12-20(24(26,27)28)30-21(15)35-17-7-5-4-6-8-17/h9-13,17,31H,4-8,14H2,1-3H3,(H,29,32)
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| InChIKey |
ZYHGSNJEPGGHFY-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