General Information of the Compound
| Compound ID |
CP0570170
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| Compound Name |
2-(2,6-difluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
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| Formula |
C22H24F5N3O
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| Molecular Weight |
441.444
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| Canonical SMILES |
CC(C(=O)NCc1ccc(nc1N1CCC(C)CC1)C(F)(F)F)c1c(F)cccc1F
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| InChI |
InChI=1S/C22H24F5N3O/c1-13-8-10-30(11-9-13)20-15(6-7-18(29-20)22(25,26)27)12-28-21(31)14(2)19-16(23)4-3-5-17(19)24/h3-7,13-14H,8-12H2,1-2H3,(H,28,31)
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| InChIKey |
FMFPUNREURIEIT-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