General Information of the Compound
| Compound ID |
CP0441774
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| Compound Name |
N-[[6-(difluoromethyl)-2-(4-methylpiperidin-1-yl)pyridin-3-yl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
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| Structure |
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| Formula |
C23H29F3N4O3S
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| Molecular Weight |
498.571
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| Canonical SMILES |
CC(C(=O)NCc1ccc(nc1N1CCC(C)CC1)C(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C23H29F3N4O3S/c1-14-8-10-30(11-9-14)22-17(5-7-20(28-22)21(25)26)13-27-23(31)15(2)16-4-6-19(18(24)12-16)29-34(3,32)33/h4-7,12,14-15,21,29H,8-11,13H2,1-3H3,(H,27,31)
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| InChIKey |
KWIVOFFHASKQDZ-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