General Information of the Compound
| Compound ID |
CP0899593
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| Compound Name |
N-(3,4-dichlorophenyl)-6-(methyloxy)-7-({[4-(methylsulfonyl)morpholin-2-yl]methyl}oxy)quinazolin-4-amine
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| Structure |
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| Formula |
C21H22Cl2N4O5S
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| Molecular Weight |
513.403
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(S(C)(=O)=O)CCO1
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| InChI |
InChI=1S/C21H22Cl2N4O5S/c1-30-19-8-15-18(24-12-25-21(15)26-13-3-4-16(22)17(23)7-13)9-20(19)32-11-14-10-27(5-6-31-14)33(2,28)29/h3-4,7-9,12,14H,5-6,10-11H2,1-2H3,(H,24,25,26)
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| InChIKey |
UAROZQSLEYSHPV-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