General Information of the Compound
| Compound ID |
CP0151685
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| Compound Name |
N-(2-aminophenyl)-4-[[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]anilino]methyl]benzamide
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| Structure |
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| Formula |
C30H27N7O
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| Molecular Weight |
501.594
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| Canonical SMILES |
Cc1ccc(NCc2ccc(cc2)C(=O)Nc2ccccc2N)cc1Nc1nccc(n1)-c1cccnc1
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| InChI |
InChI=1S/C30H27N7O/c1-20-8-13-24(17-28(20)37-30-33-16-14-26(36-30)23-5-4-15-32-19-23)34-18-21-9-11-22(12-10-21)29(38)35-27-7-3-2-6-25(27)31/h2-17,19,34H,18,31H2,1H3,(H,35,38)(H,33,36,37)
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| InChIKey |
JLIZHCYTSUGKKN-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
Protein ID: PT00991, Histone deacetylase 1
Protein ID: PT01213, Histone deacetylase 6
Cell Viability or Cytotoxicity Assay