General Information of the Compound
| Compound ID |
CP0869476
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| Compound Name |
N-(3,4-dichlorophenyl)-6-(methyloxy)-7-{[(4,6,6-trimethylmorpholin-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 |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(C)CC(C)(C)O1
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| InChI |
InChI=1S/C23H26Cl2N4O3/c1-23(2)12-29(3)10-15(32-23)11-31-21-9-19-16(8-20(21)30-4)22(27-13-26-19)28-14-5-6-17(24)18(25)7-14/h5-9,13,15H,10-12H2,1-4H3,(H,26,27,28)
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| InChIKey |
BFJHJPQKOHADCT-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