General Information of the Compound
| Compound ID |
CP0923944
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| Compound Name |
N-(3,4-dichlorophenyl)-7-{[2-(5,5-dimethylmorpholin-2-yl)ethyl]oxy}-6-(methyloxy)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 |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCCC1CNC(C)(C)CO1
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| InChI |
InChI=1S/C23H26Cl2N4O3/c1-23(2)12-32-15(11-28-23)6-7-31-21-10-19-16(9-20(21)30-3)22(27-13-26-19)29-14-4-5-17(24)18(25)8-14/h4-5,8-10,13,15,28H,6-7,11-12H2,1-3H3,(H,26,27,29)
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| InChIKey |
DCHUHENWAKOFLF-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