General Information of the Compound
| Compound ID |
CP0530135
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[2-(2,5-dimethoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)quinazolin-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H20N4O3
|
||||||||||||||||||
| Molecular Weight |
376.416
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(OC)c(CCn2cnc3ccc(cc3c2=O)-c2cn[nH]c2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H20N4O3/c1-27-17-4-6-20(28-2)15(9-17)7-8-25-13-22-19-5-3-14(10-18(19)21(25)26)16-11-23-24-12-16/h3-6,9-13H,7-8H2,1-2H3,(H,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SFBQPOFFSZXYHF-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