General Information of the Compound
| Compound ID |
CP0398682
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-[4-[4-(1-benzylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H35N3O2
|
||||||||||||||||||
| Molecular Weight |
505.662
|
||||||||||||||||||
| Canonical SMILES |
O=C1CCc2ccc(OCCCCN3CCC(=CC3)c3cn(Cc4ccccc4)c4ccccc34)cc2N1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H35N3O2/c37-33-15-13-27-12-14-28(22-31(27)34-33)38-21-7-6-18-35-19-16-26(17-20-35)30-24-36(23-25-8-2-1-3-9-25)32-11-5-4-10-29(30)32/h1-5,8-12,14,16,22,24H,6-7,13,15,17-21,23H2,(H,34,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PJDFUWIIHYWFLS-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: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT01005, D(2) dopamine receptor