General Information of the Compound
| Compound ID |
CP0938053
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| Compound Name |
N-(4-bromo-3-chlorophenyl)-6-(methyloxy)-7-[(3R)-tetrahydrofuran-3-yloxy]quinazolin-4-amine
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| Structure |
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| Formula |
C19H17BrClN3O3
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| Molecular Weight |
450.72
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Br)c(Cl)c3)ncnc2cc1O[C@@H]1CCOC1
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| InChI |
InChI=1S/C19H17BrClN3O3/c1-25-17-7-13-16(8-18(17)27-12-4-5-26-9-12)22-10-23-19(13)24-11-2-3-14(20)15(21)6-11/h2-3,6-8,10,12H,4-5,9H2,1H3,(H,22,23,24)/t12-/m1/s1
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| InChIKey |
GOMLGIJFTVXGSO-GFCCVEGCSA-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