General Information of the Compound
| Compound ID |
CP0427727
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| Compound Name |
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(4-propan-2-yloxypiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
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| Structure |
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| Formula |
C25H32F4N4O4S
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| Molecular Weight |
560.614
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| Canonical SMILES |
CC(C)OC1CCN(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/C25H32F4N4O4S/c1-15(2)37-19-9-11-33(12-10-19)23-18(6-8-22(31-23)25(27,28)29)14-30-24(34)16(3)17-5-7-21(20(26)13-17)32-38(4,35)36/h5-8,13,15-16,19,32H,9-12,14H2,1-4H3,(H,30,34)
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| InChIKey |
CAOWMMUTVYQGNU-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