General Information of the Compound
Compound ID |
CP0405070
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Compound Name |
N-[3-[[5-chloro-2-[3-chloro-4-(2-morpholin-4-yl-2-oxoethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
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Structure |
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Formula |
C25H24Cl2N6O4
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Molecular Weight |
543.411
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Canonical SMILES |
Clc1cnc(Nc2ccc(OCC(=O)N3CCOCC3)c(Cl)c2)nc1Nc1cccc(NC(=O)C=C)c1
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InChI |
InChI=1S/C25H24Cl2N6O4/c1-2-22(34)29-16-4-3-5-17(12-16)30-24-20(27)14-28-25(32-24)31-18-6-7-21(19(26)13-18)37-15-23(35)33-8-10-36-11-9-33/h2-7,12-14H,1,8-11,15H2,(H,29,34)(H2,28,30,31,32)
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InChIKey |
HQYAORCHFWHEIQ-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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