General Information of the Compound
| Compound ID |
CP0525610
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| Compound Name |
N-(2,6-dimethylphenyl)-4-[methyl-[5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide
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| Structure |
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| Formula |
C28H25F3N4O2
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| Molecular Weight |
506.528
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| Canonical SMILES |
CN(c1ccc(cc1)C(=O)Nc1c(C)cccc1C)c1ncc(C)c(n1)-c1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C28H25F3N4O2/c1-17-6-5-7-18(2)24(17)33-26(36)21-8-12-22(13-9-21)35(4)27-32-16-19(3)25(34-27)20-10-14-23(15-11-20)37-28(29,30)31/h5-16H,1-4H3,(H,33,36)
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| InChIKey |
XIVGLIFGANYWTO-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