General Information of the Compound
| Compound ID |
CP0942615
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| Compound Name |
N-(3,4-dichlorophenyl)-7-{[(4-ethanimidoyl-1,4-oxazepan-2-yl)methyl]oxy}-6-(methyloxy)quinazolin-4-amine
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| Structure |
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| Formula |
C23H25Cl2N5O3
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| Molecular Weight |
490.391
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| Canonical SMILES |
COc1cc2c(Nc3cccc(Cl)c3Cl)ncnc2cc1OCC1CN(C(C)=N)CCCO1
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| InChI |
InChI=1S/C23H25Cl2N5O3/c1-14(26)30-7-4-8-32-15(11-30)12-33-21-10-19-16(9-20(21)31-2)23(28-13-27-19)29-18-6-3-5-17(24)22(18)25/h3,5-6,9-10,13,15,26H,4,7-8,11-12H2,1-2H3,(H,27,28,29)
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| InChIKey |
BSSZGBUEIGRDHQ-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