General Information of the Compound
| Compound ID |
CP0405957
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| Compound Name |
N-(2,6-dimethylphenyl)-4-[[4-propyl-6-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide
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| Structure |
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| Formula |
C29H27F3N4O2
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| Molecular Weight |
520.555
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| Canonical SMILES |
CCCc1cc(nc(Nc2ccc(cc2)C(=O)Nc2c(C)cccc2C)n1)-c1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C29H27F3N4O2/c1-4-6-23-17-25(20-11-15-24(16-12-20)38-29(30,31)32)35-28(34-23)33-22-13-9-21(10-14-22)27(37)36-26-18(2)7-5-8-19(26)3/h5,7-17H,4,6H2,1-3H3,(H,36,37)(H,33,34,35)
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| InChIKey |
FRGQCWMZTZPBRJ-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