General Information of the Compound
| Compound ID |
CP0869474
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(1E)-[2-({[4-[(3,4-dichlorophenyl)amino]-6-(methyloxy)quinazolin-7-yl]oxy}methyl)morpholin-4-yl](piperidin-1-yl)methylidene]cyanamide
Show/Hide
|
||||||||||||||||||
| Formula |
C27H29Cl2N7O3
|
||||||||||||||||||
| Molecular Weight |
570.481
|
||||||||||||||||||
| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(/C(=N/C#N)N2CCCCC2)CCO1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H29Cl2N7O3/c1-37-24-12-20-23(32-17-33-26(20)34-18-5-6-21(28)22(29)11-18)13-25(24)39-15-19-14-36(9-10-38-19)27(31-16-30)35-7-3-2-4-8-35/h5-6,11-13,17,19H,2-4,7-10,14-15H2,1H3,(H,32,33,34)/b31-27+
Show/Hide
|
||||||||||||||||||
| InChIKey |
FIIMJONANOAMJA-TVKQRKNISA-N
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
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