General Information of the Compound
| Compound ID |
CP0924120
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| Compound Name |
7-[({4-[(2-chloropyridin-3-yl)carbonyl]morpholin-2-yl}methyl)oxy]-N-(3,4-dichlorophenyl)-6-(methyloxy)quinazolin-4-amine
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| Structure |
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| Formula |
C26H22Cl3N5O4
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| Molecular Weight |
574.852
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(C(=O)c2cccnc2Cl)CCO1
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| InChI |
InChI=1S/C26H22Cl3N5O4/c1-36-22-10-18-21(31-14-32-25(18)33-15-4-5-19(27)20(28)9-15)11-23(22)38-13-16-12-34(7-8-37-16)26(35)17-3-2-6-30-24(17)29/h2-6,9-11,14,16H,7-8,12-13H2,1H3,(H,31,32,33)
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| InChIKey |
HJONXIJNTCIJTH-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: PT01233, Receptor tyrosine-protein kinase erbB-2
Protein ID: PT00864, Vascular endothelial growth factor receptor 2