General Information of the Compound
| Compound ID |
CP0559006
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| Compound Name |
2-(3-chloro-4-fluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]acetamide
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| Formula |
C21H22ClF4N3O
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| Molecular Weight |
443.872
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| Canonical SMILES |
CC1CCN(CC1)c1nc(ccc1CNC(=O)Cc1ccc(F)c(Cl)c1)C(F)(F)F
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| InChI |
InChI=1S/C21H22ClF4N3O/c1-13-6-8-29(9-7-13)20-15(3-5-18(28-20)21(24,25)26)12-27-19(30)11-14-2-4-17(23)16(22)10-14/h2-5,10,13H,6-9,11-12H2,1H3,(H,27,30)
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| InChIKey |
ISRNGNWSMJVOES-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