General Information of the Compound
| Compound ID |
CP0380394
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-({[4-chloro-2-(trifluoromethyl)quinolin-6- yl]methyl}oxy)-N-(3,4-dichlorophenyl)-6- (methyloxy)quinazolin-4-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H16Cl3F3N4O2
|
||||||||||||||||||
| Molecular Weight |
579.793
|
||||||||||||||||||
| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1ccc2nc(cc(Cl)c2c1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H16Cl3F3N4O2/c1-37-22-8-16-21(33-12-34-25(16)35-14-3-4-17(27)19(29)7-14)10-23(22)38-11-13-2-5-20-15(6-13)18(28)9-24(36-20)26(30,31)32/h2-10,12H,11H2,1H3,(H,33,34,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QEIAACVSNFOMGZ-UHFFFAOYSA-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 | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| 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