General Information of the Compound
| Compound ID |
CP0963485
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| Compound Name |
N-(4-bromo-3-chloro-2-fluorophenyl)-7-{[(4-methylmorpholin-2-yl)methyl]oxy}-6-(methyloxy)quinazolin-4-amine
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| Structure |
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| Formula |
C21H21BrClFN4O3
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| Molecular Weight |
511.779
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Br)c(Cl)c3F)ncnc2cc1OCC1CN(C)CCO1
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| InChI |
InChI=1S/C21H21BrClFN4O3/c1-28-5-6-30-12(9-28)10-31-18-8-16-13(7-17(18)29-2)21(26-11-25-16)27-15-4-3-14(22)19(23)20(15)24/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3,(H,25,26,27)
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| InChIKey |
WWKIMALVSPDSCC-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