General Information of the Compound
| Compound ID |
CP0387965
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| Compound Name |
4-[[4-(4-cyanophenyl)-5-methylpyrimidin-2-yl]amino]-N-(2,6-dimethylphenyl)benzamide
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| Structure |
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| Formula |
C27H23N5O
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| Molecular Weight |
433.515
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| Canonical SMILES |
Cc1cccc(C)c1NC(=O)c1ccc(Nc2ncc(C)c(n2)-c2ccc(cc2)C#N)cc1
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| InChI |
InChI=1S/C27H23N5O/c1-17-5-4-6-18(2)24(17)31-26(33)22-11-13-23(14-12-22)30-27-29-16-19(3)25(32-27)21-9-7-20(15-28)8-10-21/h4-14,16H,1-3H3,(H,31,33)(H,29,30,32)
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| InChIKey |
LKRZBVIVDZNQRA-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