General Information of the Compound
Compound ID |
CP0396487
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Compound Name |
N-[[2-(3,5-dimethylcyclohexyl)oxy-6-(trifluoromethyl)pyridin-3-yl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
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Structure |
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Formula |
C25H31F4N3O4S
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Molecular Weight |
545.599
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Canonical SMILES |
CC(C(=O)NCc1ccc(nc1OC1CC(C)CC(C)C1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
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InChI |
InChI=1S/C25H31F4N3O4S/c1-14-9-15(2)11-19(10-14)36-24-18(6-8-22(31-24)25(27,28)29)13-30-23(33)16(3)17-5-7-21(20(26)12-17)32-37(4,34)35/h5-8,12,14-16,19,32H,9-11,13H2,1-4H3,(H,30,33)
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InChIKey |
SIZPLSFHUZQYRB-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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