General Information of the Compound
| Compound ID |
CP0056223
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| Compound Name |
N-(3-cyanophenyl)-4-methyl-3-[[3-(7H-purin-6-yl)pyridin-2-yl]amino]benzamide
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| Structure |
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| Formula |
C25H18N8O
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| Molecular Weight |
446.474
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| Canonical SMILES |
Cc1ccc(cc1Nc1ncccc1-c1ncnc2[nH]cnc12)C(=O)Nc1cccc(c1)C#N
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| InChI |
InChI=1S/C25H18N8O/c1-15-7-8-17(25(34)32-18-5-2-4-16(10-18)12-26)11-20(15)33-23-19(6-3-9-27-23)21-22-24(30-13-28-21)31-14-29-22/h2-11,13-14H,1H3,(H,27,33)(H,32,34)(H,28,29,30,31)
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| InChIKey |
SKZJSARUKPUIFQ-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