General Information of the Compound
| Compound ID |
CP0371910
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(4-(4-(4-chlorophenyl)-1-piperazinyl)butyl)quinazolin-4(3H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H25ClN4O
|
||||||||||||||||||
| Molecular Weight |
396.922
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(cc1)N1CCN(CCCCn2cnc3ccccc3c2=O)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H25ClN4O/c23-18-7-9-19(10-8-18)26-15-13-25(14-16-26)11-3-4-12-27-17-24-21-6-2-1-5-20(21)22(27)28/h1-2,5-10,17H,3-4,11-16H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
RSLKAABRYSOXNC-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
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor