General Information of the Compound
| Compound ID |
CP0876121
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| Compound Name |
4-(3'-bromoanilino)-6,7-diethoxyquinazoline hydrochloride
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| Structure |
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| Formula |
C18H19BrClN3O2
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| Molecular Weight |
424.726
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| Canonical SMILES |
CCOc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCC.Cl
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| InChI |
InChI=1S/C18H18BrN3O2.ClH/c1-3-23-16-9-14-15(10-17(16)24-4-2)20-11-21-18(14)22-13-7-5-6-12(19)8-13;/h5-11H,3-4H2,1-2H3,(H,20,21,22);1H
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| InChIKey |
ORUPOBWCXJTTRX-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: PT00922, Epidermal growth factor receptor
Protein ID: PT01233, Receptor tyrosine-protein kinase erbB-2