General Information of the Compound
| Compound ID |
CP0869467
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| Compound Name |
2-[2-({[4-[(3,4-dichlorophenyl)amino]-6-(methyloxy)quinazolin-7-yl]oxy}methyl)morpholin-4-yl]acetamide
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| Structure |
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| Formula |
C22H23Cl2N5O4
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| Molecular Weight |
492.363
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(CC(N)=O)CCO1
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| InChI |
InChI=1S/C22H23Cl2N5O4/c1-31-19-7-15-18(26-12-27-22(15)28-13-2-3-16(23)17(24)6-13)8-20(19)33-11-14-9-29(4-5-32-14)10-21(25)30/h2-3,6-8,12,14H,4-5,9-11H2,1H3,(H2,25,30)(H,26,27,28)
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| InChIKey |
BLDLZCARBOCFMX-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