General Information of the Compound
| Compound ID |
CP0559589
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[2-(2,5-dimethoxyphenyl)ethyl]-6-(2-methoxyphenyl)quinazolin-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H24N2O4
|
||||||||||||||||||
| Molecular Weight |
416.477
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(OC)c(CCn2cnc3ccc(cc3c2=O)-c2ccccc2OC)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H24N2O4/c1-29-19-9-11-23(30-2)18(14-19)12-13-27-16-26-22-10-8-17(15-21(22)25(27)28)20-6-4-5-7-24(20)31-3/h4-11,14-16H,12-13H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
LDZAVHOMQUQGBB-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