General Information of the Compound
| Compound ID |
CP0561724
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| Compound Name |
N-[2-fluoro-4-[1-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methylamino]-1-oxopropan-2-yl]phenyl]-2-methylpropanamide
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| Structure |
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| Formula |
C26H32F4N4O2
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| Molecular Weight |
508.56
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| Canonical SMILES |
CC(C)C(=O)Nc1ccc(cc1F)C(C)C(=O)NCc1ccc(nc1N1CCC(C)CC1)C(F)(F)F
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| InChI |
InChI=1S/C26H32F4N4O2/c1-15(2)24(35)32-21-7-5-18(13-20(21)27)17(4)25(36)31-14-19-6-8-22(26(28,29)30)33-23(19)34-11-9-16(3)10-12-34/h5-8,13,15-17H,9-12,14H2,1-4H3,(H,31,36)(H,32,35)
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| InChIKey |
WNZWEGLYPDNPDW-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