General Information of the Compound
| Compound ID |
CP0441772
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| Compound Name |
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[3-piperidin-1-yl-5-(trifluoromethyl)pyridin-2-yl]methyl]propanamide
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| Structure |
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| Formula |
C22H26F4N4O3S
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| Molecular Weight |
502.534
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| Canonical SMILES |
CC(C(=O)NCc1ncc(cc1N1CCCCC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C22H26F4N4O3S/c1-14(15-6-7-18(17(23)10-15)29-34(2,32)33)21(31)28-13-19-20(30-8-4-3-5-9-30)11-16(12-27-19)22(24,25)26/h6-7,10-12,14,29H,3-5,8-9,13H2,1-2H3,(H,28,31)
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| InChIKey |
ANZHWVIXASKFRS-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