General Information of the Compound
| Compound ID |
CP0201716
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| Compound Name |
1-N-(2-aminophenyl)-4-N-methyl-4-N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzene-1,4-dicarboxamide
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| Structure |
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| Formula |
C30H25N7O2
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| Molecular Weight |
515.577
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| Canonical SMILES |
CN(C(=O)c1ccc(cc1)C(=O)Nc1ccccc1N)c1cccc(Nc2nccc(n2)-c2cccnc2)c1
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| InChI |
InChI=1S/C30H25N7O2/c1-37(29(39)21-13-11-20(12-14-21)28(38)35-27-10-3-2-9-25(27)31)24-8-4-7-23(18-24)34-30-33-17-15-26(36-30)22-6-5-16-32-19-22/h2-19H,31H2,1H3,(H,35,38)(H,33,34,36)
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| InChIKey |
CECVMCWVJXADBQ-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