General Information of the Compound
| Compound ID |
CP0510470
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| Compound Name |
N-[[2-(4-tert-butylcyclohexyl)sulfanyl-6-(trifluoromethyl)pyridin-3-yl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
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| Structure |
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| Formula |
C27H35F4N3O3S2
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| Molecular Weight |
589.721
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| Canonical SMILES |
CC(C(=O)NCc1ccc(nc1SC1CCC(CC1)C(C)(C)C)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C27H35F4N3O3S2/c1-16(17-6-12-22(21(28)14-17)34-39(5,36)37)24(35)32-15-18-7-13-23(27(29,30)31)33-25(18)38-20-10-8-19(9-11-20)26(2,3)4/h6-7,12-14,16,19-20,34H,8-11,15H2,1-5H3,(H,32,35)
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| InChIKey |
UBXXTUIUNTZNET-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