General Information of the Compound
| Compound ID |
CP0575085
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| Compound Name |
2-[[5-chloro-2-[4-(2-morpholin-4-yl-2-oxoethoxy)anilino]pyrimidin-4-yl]amino]-N-cyclopropylbenzamide
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| Structure |
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| Formula |
C26H27ClN6O4
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| Molecular Weight |
522.993
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| Canonical SMILES |
Clc1cnc(Nc2ccc(OCC(=O)N3CCOCC3)cc2)nc1Nc1ccccc1C(=O)NC1CC1
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| InChI |
InChI=1S/C26H27ClN6O4/c27-21-15-28-26(32-24(21)31-22-4-2-1-3-20(22)25(35)29-17-5-6-17)30-18-7-9-19(10-8-18)37-16-23(34)33-11-13-36-14-12-33/h1-4,7-10,15,17H,5-6,11-14,16H2,(H,29,35)(H2,28,30,31,32)
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| InChIKey |
NHQIEUKVRYJWGO-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