General Information of the Compound
| Compound ID |
CP0397755
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| Compound Name |
2-[[5-chloro-2-[4-(2-morpholin-4-yl-2-oxoethyl)sulfanylanilino]pyrimidin-4-yl]amino]-N-methylbenzamide
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| Structure |
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| Formula |
C24H25ClN6O3S
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| Molecular Weight |
513.023
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| Canonical SMILES |
CNC(=O)c1ccccc1Nc1nc(Nc2ccc(SCC(=O)N3CCOCC3)cc2)ncc1Cl
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| InChI |
InChI=1S/C24H25ClN6O3S/c1-26-23(33)18-4-2-3-5-20(18)29-22-19(25)14-27-24(30-22)28-16-6-8-17(9-7-16)35-15-21(32)31-10-12-34-13-11-31/h2-9,14H,10-13,15H2,1H3,(H,26,33)(H2,27,28,29,30)
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| InChIKey |
UMSQIODHTMFTNM-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