General Information of the Compound
| Compound ID |
CP0428034
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| Compound Name |
N-[[2-(4-butoxypiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
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| Structure |
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| Formula |
C26H34F4N4O4S
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| Molecular Weight |
574.641
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| Canonical SMILES |
CCCCOC1CCN(CC1)c1nc(ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F
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| InChI |
InChI=1S/C26H34F4N4O4S/c1-4-5-14-38-20-10-12-34(13-11-20)24-19(7-9-23(32-24)26(28,29)30)16-31-25(35)17(2)18-6-8-22(21(27)15-18)33-39(3,36)37/h6-9,15,17,20,33H,4-5,10-14,16H2,1-3H3,(H,31,35)
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| InChIKey |
ZYYDQFHTSSUHSN-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