General Information of the Compound
| Compound ID |
CP0564445
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| Compound Name |
2-[[5-chloro-2-[3-methyl-4-[(4-methylphenyl)sulfonylamino]anilino]pyrimidin-4-yl]amino]-N-methylbenzamide
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| Structure |
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| Formula |
C26H25ClN6O3S
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| Molecular Weight |
537.045
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| Canonical SMILES |
CNC(=O)c1ccccc1Nc1nc(Nc2ccc(NS(=O)(=O)c3ccc(C)cc3)c(C)c2)ncc1Cl
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| InChI |
InChI=1S/C26H25ClN6O3S/c1-16-8-11-19(12-9-16)37(35,36)33-22-13-10-18(14-17(22)2)30-26-29-15-21(27)24(32-26)31-23-7-5-4-6-20(23)25(34)28-3/h4-15,33H,1-3H3,(H,28,34)(H2,29,30,31,32)
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| InChIKey |
QFHZXRIKLGGRSO-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: PT01141, Focal adhesion kinase 1
Cell Viability or Cytotoxicity Assay