General Information of the Compound
| Compound ID |
CP0519111
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-({[2-(4-chlorophenyl)-1,3-thiazol-4- yl]methyl}oxy)-N-(3,4-dichlorophenyl)-6- (methyloxy)quinazolin-4-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H17Cl3N4O2S
|
||||||||||||||||||
| Molecular Weight |
543.863
|
||||||||||||||||||
| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1csc(n1)-c1ccc(Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H17Cl3N4O2S/c1-33-22-9-18-21(29-13-30-24(18)31-16-6-7-19(27)20(28)8-16)10-23(22)34-11-17-12-35-25(32-17)14-2-4-15(26)5-3-14/h2-10,12-13H,11H2,1H3,(H,29,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KIHIMMDNUNDKTJ-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