General Information of the Compound
| Compound ID |
CP0530868
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| Compound Name |
6-[2-({[4-[(3,4-dichlorophenyl)amino]-6- (methyloxy)quinazolin-7- yl]oxy}methyl)morpholin-4-yl]hexanenitrile
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| Structure |
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| Formula |
C26H29Cl2N5O3
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| Molecular Weight |
530.456
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(CCCCCC#N)CCO1
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| InChI |
InChI=1S/C26H29Cl2N5O3/c1-34-24-13-20-23(30-17-31-26(20)32-18-6-7-21(27)22(28)12-18)14-25(24)36-16-19-15-33(10-11-35-19)9-5-3-2-4-8-29/h6-7,12-14,17,19H,2-5,9-11,15-16H2,1H3,(H,30,31,32)
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| InChIKey |
AVADFQHEIADTFF-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