General Information of the Compound
| Compound ID |
CP0414399
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| Compound Name |
N-[3-butyl-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]benzamide
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| Structure |
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| Formula |
C32H32N6O
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| Molecular Weight |
516.649
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| Canonical SMILES |
CCCCc1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3ccccc3)c2)cc(c1)-n1cnc(C)c1
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| InChI |
InChI=1S/C32H32N6O/c1-4-5-9-24-16-27(19-28(17-24)38-20-23(3)34-21-38)35-31(39)26-13-12-22(2)30(18-26)37-32-33-15-14-29(36-32)25-10-7-6-8-11-25/h6-8,10-21H,4-5,9H2,1-3H3,(H,35,39)(H,33,36,37)
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| InChIKey |
WLUSXUZDBARSRE-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