General Information of the Compound
| Compound ID |
CP0428035
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| Compound Name |
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(4-methoxypiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
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| Structure |
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| Formula |
C23H28F4N4O4S
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| Molecular Weight |
532.56
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| Canonical SMILES |
COC1CCN(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/C23H28F4N4O4S/c1-14(15-4-6-19(18(24)12-15)30-36(3,33)34)22(32)28-13-16-5-7-20(23(25,26)27)29-21(16)31-10-8-17(35-2)9-11-31/h4-7,12,14,17,30H,8-11,13H2,1-3H3,(H,28,32)
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| InChIKey |
PVSORTJSXQOMLT-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