General Information of the Compound
| Compound ID |
CP0903647
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| Compound Name |
N-(3,4-dichlorophenyl)-6-(methyloxy)-7-{[2-(4,5,5-trimethylmorpholin-2-yl)ethyl]oxy}quinazolin-4-amine
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| Structure |
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| Formula |
C24H28Cl2N4O3
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| Molecular Weight |
491.419
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCCC1CN(C)C(C)(C)CO1
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| InChI |
InChI=1S/C24H28Cl2N4O3/c1-24(2)13-33-16(12-30(24)3)7-8-32-22-11-20-17(10-21(22)31-4)23(28-14-27-20)29-15-5-6-18(25)19(26)9-15/h5-6,9-11,14,16H,7-8,12-13H2,1-4H3,(H,27,28,29)
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| InChIKey |
NTVIDJBDSIQHHB-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