General Information of the Compound
| Compound ID |
CP0397710
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| Compound Name |
N-[[2-[(4-tert-butylphenyl)methoxy]-6-(trifluoromethyl)pyridin-3-yl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
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| Structure |
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| Formula |
C28H31F4N3O4S
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| Molecular Weight |
581.632
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| Canonical SMILES |
CC(C(=O)NCc1ccc(nc1OCc1ccc(cc1)C(C)(C)C)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C28H31F4N3O4S/c1-17(19-8-12-23(22(29)14-19)35-40(5,37)38)25(36)33-15-20-9-13-24(28(30,31)32)34-26(20)39-16-18-6-10-21(11-7-18)27(2,3)4/h6-14,17,35H,15-16H2,1-5H3,(H,33,36)
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| InChIKey |
QMEVUPZOUYRQGV-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