General Information of the Compound
| Compound ID |
CP0494693
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-{8-[2-(4-Benzo[d]isoxazol-3-yl-piperazin-1-yl)-ethyl]-4,5-dimethyl-3,4-dihydro-2H-quinolin-1-yl}-ethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H32N4O2
|
||||||||||||||||||
| Molecular Weight |
432.568
|
||||||||||||||||||
| Canonical SMILES |
CC1CCN(C(C)=O)c2c(CCN3CCN(CC3)c3noc4ccccc34)ccc(C)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H32N4O2/c1-18-8-9-21(25-24(18)19(2)10-13-30(25)20(3)31)11-12-28-14-16-29(17-15-28)26-22-6-4-5-7-23(22)32-27-26/h4-9,19H,10-17H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZEBDIAQRPDZLLQ-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