General Information of the Compound
| Compound ID |
CP0961506
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| Compound Name |
N-(4-bromo-3,5-difluorophenyl)-7-{[(4-methylmorpholin-2-yl)methyl]oxy}-6-(methyloxy)quinazolin-4-amine
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| Structure |
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| Formula |
C21H21BrF2N4O3
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| Molecular Weight |
495.324
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| Canonical SMILES |
COc1cc2c(Nc3cc(F)c(Br)c(F)c3)ncnc2cc1OCC1CN(C)CCO1
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| InChI |
InChI=1S/C21H21BrF2N4O3/c1-28-3-4-30-13(9-28)10-31-19-8-17-14(7-18(19)29-2)21(26-11-25-17)27-12-5-15(23)20(22)16(24)6-12/h5-8,11,13H,3-4,9-10H2,1-2H3,(H,25,26,27)
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| InChIKey |
FBKDSVZIPCLRHF-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