General Information of the Compound
| Compound ID |
CP0534212
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| Compound Name |
4-methyl-N-[3-(4-methylimidazol-1-yl)-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide
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| Structure |
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| Formula |
C34H36N8O
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| Molecular Weight |
572.717
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| Canonical SMILES |
CN1CCN(Cc2cc(NC(=O)c3ccc(C)c(Nc4nccc(n4)-c4ccccc4)c3)cc(c2)-n2cnc(C)c2)CC1
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| InChI |
InChI=1S/C34H36N8O/c1-24-9-10-28(19-32(24)39-34-35-12-11-31(38-34)27-7-5-4-6-8-27)33(43)37-29-17-26(22-41-15-13-40(3)14-16-41)18-30(20-29)42-21-25(2)36-23-42/h4-12,17-21,23H,13-16,22H2,1-3H3,(H,37,43)(H,35,38,39)
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| InChIKey |
FPILCJQVCVIRHQ-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