General Information of the Compound
| Compound ID |
CP0397754
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| Compound Name |
2-[[5-chloro-2-[4-(1-morpholin-4-yl-1-oxobutan-2-yl)oxyanilino]pyrimidin-4-yl]amino]-N-methylbenzamide
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| Structure |
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| Formula |
C26H29ClN6O4
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| Molecular Weight |
525.009
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| Canonical SMILES |
CCC(Oc1ccc(Nc2ncc(Cl)c(Nc3ccccc3C(=O)NC)n2)cc1)C(=O)N1CCOCC1
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| InChI |
InChI=1S/C26H29ClN6O4/c1-3-22(25(35)33-12-14-36-15-13-33)37-18-10-8-17(9-11-18)30-26-29-16-20(27)23(32-26)31-21-7-5-4-6-19(21)24(34)28-2/h4-11,16,22H,3,12-15H2,1-2H3,(H,28,34)(H2,29,30,31,32)
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| InChIKey |
NSRXGGSGKZPAFJ-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