General Information of the Compound
| Compound ID |
CP0302663
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| Compound Name |
N-(4-chloro-3-methylphenyl)-4-methyl-3-[[3-(7H-purin-6-yl)pyridin-2-yl]amino]benzamide
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| Structure |
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| Formula |
C25H20ClN7O
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| Molecular Weight |
469.936
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| Canonical SMILES |
Cc1cc(NC(=O)c2ccc(C)c(Nc3ncccc3-c3ncnc4[nH]cnc34)c2)ccc1Cl
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| InChI |
InChI=1S/C25H20ClN7O/c1-14-5-6-16(25(34)32-17-7-8-19(26)15(2)10-17)11-20(14)33-23-18(4-3-9-27-23)21-22-24(30-12-28-21)31-13-29-22/h3-13H,1-2H3,(H,27,33)(H,32,34)(H,28,29,30,31)
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| InChIKey |
CJHJDHMTGXCQIJ-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: PT01381, Serine/threonine-protein kinase B-raf
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000045 | A-375 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 1632 nM
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