General Information of the Compound
| Compound ID |
CP0493314
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| Compound Name |
N-(3,4-dichlorophenyl)-7-({[5-(1- ethylpiperidin-4-yl)-1,2,4-oxadiazol-3- yl]methyl}oxy)-6-(methyloxy)quinazolin-4- amine
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| Structure |
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| Formula |
C25H26Cl2N6O3
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| Molecular Weight |
529.428
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| Canonical SMILES |
CCN1CCC(CC1)c1nc(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)no1
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| InChI |
InChI=1S/C25H26Cl2N6O3/c1-3-33-8-6-15(7-9-33)25-31-23(32-36-25)13-35-22-12-20-17(11-21(22)34-2)24(29-14-28-20)30-16-4-5-18(26)19(27)10-16/h4-5,10-12,14-15H,3,6-9,13H2,1-2H3,(H,28,29,30)
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| InChIKey |
QWTRRGLWVSSIML-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