General Information of the Compound
| Compound ID |
CP0462129
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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]benzamide
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| Structure |
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| Formula |
C29H30F4N4O2
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| Molecular Weight |
542.577
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| Canonical SMILES |
CC(C(=O)NCc1ccc(nc1N1CCC(C)CC1)C(F)(F)F)c1ccc(NC(=O)c2ccccc2)c(F)c1
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| InChI |
InChI=1S/C29H30F4N4O2/c1-18-12-14-37(15-13-18)26-22(9-11-25(36-26)29(31,32)33)17-34-27(38)19(2)21-8-10-24(23(30)16-21)35-28(39)20-6-4-3-5-7-20/h3-11,16,18-19H,12-15,17H2,1-2H3,(H,34,38)(H,35,39)
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| InChIKey |
FBQIOGBONOVEJA-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