General Information of the Compound
| Compound ID |
CP0380390
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| Compound Name |
2-(2-{[4-[(3,4-dichlorophenyl)amino]-6- (methyloxy)quinazolin-7-yl]oxy}ethyl)-1H- isoindole-1,3(2H)-dione
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| Structure |
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| Formula |
C25H18Cl2N4O4
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| Molecular Weight |
509.349
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCCN1C(=O)c2ccccc2C1=O
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| InChI |
InChI=1S/C25H18Cl2N4O4/c1-34-21-11-17-20(28-13-29-23(17)30-14-6-7-18(26)19(27)10-14)12-22(21)35-9-8-31-24(32)15-4-2-3-5-16(15)25(31)33/h2-7,10-13H,8-9H2,1H3,(H,28,29,30)
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| InChIKey |
KCGTXHCPPMDHIJ-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