General Information of the Compound
| Compound ID |
CP0508171
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-[2-(4-Benzo[d]isoxazol-3-yl-piperazin-1-yl)-ethyl]-4,6-dimethyl-3,4-dihydro-1H-quinolin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H28N4O2
|
||||||||||||||||||
| Molecular Weight |
404.514
|
||||||||||||||||||
| Canonical SMILES |
CC1CC(=O)Nc2c(CCN3CCN(CC3)c3noc4ccccc34)cc(C)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H28N4O2/c1-16-13-18(23-20(14-16)17(2)15-22(29)25-23)7-8-27-9-11-28(12-10-27)24-19-5-3-4-6-21(19)30-26-24/h3-6,13-14,17H,7-12,15H2,1-2H3,(H,25,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZCAJFFDMFGAKNN-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01005, D(2) dopamine receptor