General Information of the Compound
| Compound ID |
CP0912091
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| Compound Name |
N-(4-bromo-2,3-dichlorophenyl)-6-(methyloxy)-7-{[(4,5,5-trimethylmorpholin-2-yl)methyl]oxy}quinazolin-4-amine
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| Structure |
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| Formula |
C23H25BrCl2N4O3
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| Molecular Weight |
556.288
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Br)c(Cl)c3Cl)ncnc2cc1OCC1CN(C)C(C)(C)CO1
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| InChI |
InChI=1S/C23H25BrCl2N4O3/c1-23(2)11-33-13(9-30(23)3)10-32-19-8-17-14(7-18(19)31-4)22(28-12-27-17)29-16-6-5-15(24)20(25)21(16)26/h5-8,12-13H,9-11H2,1-4H3,(H,27,28,29)
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| InChIKey |
MGIPMVSOOMJZHR-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