General Information of the Compound
| Compound ID |
CP0432693
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| Compound Name |
N-[4-[4-[hydroxy(phenyl)methyl]anilino]-7-methoxyquinazolin-6-yl]propanamide
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| Structure |
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| Formula |
C25H24N4O3
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| Molecular Weight |
428.492
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| Canonical SMILES |
CCC(=O)Nc1cc2c(Nc3ccc(cc3)C(O)c3ccccc3)ncnc2cc1OC
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| InChI |
InChI=1S/C25H24N4O3/c1-3-23(30)29-21-13-19-20(14-22(21)32-2)26-15-27-25(19)28-18-11-9-17(10-12-18)24(31)16-7-5-4-6-8-16/h4-15,24,31H,3H2,1-2H3,(H,29,30)(H,26,27,28)
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| InChIKey |
IQOJCGLNXTVHOS-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: PT01159, Receptor tyrosine-protein kinase erbB-4