General Information of the Compound
| Compound ID |
CP0519012
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| Compound Name |
2-[[5-chloro-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyanilino]pyrimidin-4-yl]amino]-N-methylbenzamide
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| Structure |
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| Formula |
C25H27ClN6O4
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| Molecular Weight |
510.982
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| Canonical SMILES |
CNC(=O)c1ccccc1Nc1nc(Nc2ccc(OC(C)C(=O)N3CCOCC3)cc2)ncc1Cl
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| InChI |
InChI=1S/C25H27ClN6O4/c1-16(24(34)32-11-13-35-14-12-32)36-18-9-7-17(8-10-18)29-25-28-15-20(26)22(31-25)30-21-6-4-3-5-19(21)23(33)27-2/h3-10,15-16H,11-14H2,1-2H3,(H,27,33)(H2,28,29,30,31)
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| InChIKey |
WAPPPJLAYCCQJK-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