General Information of the Compound
| Compound ID |
CP0551124
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| Compound Name |
N-(3,4-dichlorophenyl)-7-{[(4-ethylmorpholin- 2-yl)methyl]oxy}-6-(methyloxy)quinazolin-4- amine
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| Structure |
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| Formula |
C22H24Cl2N4O3
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| Molecular Weight |
463.365
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| Canonical SMILES |
CCN1CCOC(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)C1
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| InChI |
InChI=1S/C22H24Cl2N4O3/c1-3-28-6-7-30-15(11-28)12-31-21-10-19-16(9-20(21)29-2)22(26-13-25-19)27-14-4-5-17(23)18(24)8-14/h4-5,8-10,13,15H,3,6-7,11-12H2,1-2H3,(H,25,26,27)
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| InChIKey |
HMNGFRURISAKFO-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