General Information of the Compound
| Compound ID |
CP0487782
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| Compound Name |
N-(2,6-dimethylphenyl)-4-[[5-methyl-4-(4-morpholin-4-ylphenyl)pyrimidin-2-yl]amino]benzamide
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| Structure |
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| Formula |
C30H31N5O2
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| Molecular Weight |
493.611
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| Canonical SMILES |
Cc1cccc(C)c1NC(=O)c1ccc(Nc2ncc(C)c(n2)-c2ccc(cc2)N2CCOCC2)cc1
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| InChI |
InChI=1S/C30H31N5O2/c1-20-5-4-6-21(2)27(20)33-29(36)24-7-11-25(12-8-24)32-30-31-19-22(3)28(34-30)23-9-13-26(14-10-23)35-15-17-37-18-16-35/h4-14,19H,15-18H2,1-3H3,(H,33,36)(H,31,32,34)
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| InChIKey |
KLCRFJXCFRYQNR-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