General Information of the Compound
| Compound ID |
CP0286328
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| Compound Name |
4-N-(2-aminophenyl)-1-N-[4-methyl-3-[(5-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 |
Cc1ccc(NC(=O)c2ccc(cc2)C(=O)Nc2ccccc2N)cc1Nc1ncc(cn1)-c1cccnc1
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| InChI |
InChI=1S/C30H25N7O2/c1-19-8-13-24(15-27(19)37-30-33-17-23(18-34-30)22-5-4-14-32-16-22)35-28(38)20-9-11-21(12-10-20)29(39)36-26-7-3-2-6-25(26)31/h2-18H,31H2,1H3,(H,35,38)(H,36,39)(H,33,34,37)
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| InChIKey |
JUZVLELTCCUPPD-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