General Information of the Compound
| Compound ID |
CP0529427
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| Compound Name |
N-[[2-cyclohexylsulfanyl-6-(trifluoromethyl)pyridin-3-yl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-(3-methylphenyl)acetamide
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| Structure |
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| Formula |
C29H31F4N3O3S2
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| Molecular Weight |
609.711
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| Canonical SMILES |
Cc1cccc(c1)C(C(=O)NCc1ccc(nc1SC1CCCCC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C29H31F4N3O3S2/c1-18-7-6-8-19(15-18)26(20-11-13-24(23(30)16-20)36-41(2,38)39)27(37)34-17-21-12-14-25(29(31,32)33)35-28(21)40-22-9-4-3-5-10-22/h6-8,11-16,22,26,36H,3-5,9-10,17H2,1-2H3,(H,34,37)
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| InChIKey |
USRLUSYJJVHIKR-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