General Information of the Compound
| Compound ID |
CP0944880
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| Compound Name |
N-(3,4-dichlorophenyl)-6-[(1-methylethyl)oxy]-7-{[(4-methylmorpholin-2-yl)methyl]oxy}quinazolin-4-amine
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| Structure |
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| Formula |
C23H26Cl2N4O3
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| Molecular Weight |
477.392
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| Canonical SMILES |
CC(C)Oc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(C)CCO1
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| InChI |
InChI=1S/C23H26Cl2N4O3/c1-14(2)32-22-9-17-20(10-21(22)31-12-16-11-29(3)6-7-30-16)26-13-27-23(17)28-15-4-5-18(24)19(25)8-15/h4-5,8-10,13-14,16H,6-7,11-12H2,1-3H3,(H,26,27,28)
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| InChIKey |
HPSOKGKCQBAFCF-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