General Information of the Compound
| Compound ID |
CP0412626
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-[4-[4-[1-[(2-fluorophenyl)methyl]indol-4-yl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H35FN4O2
|
||||||||||||||||||
| Molecular Weight |
526.656
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccccc1Cn1ccc2c(cccc12)N1CCN(CCCCOc2ccc3CCC(=O)Nc3c2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H35FN4O2/c33-28-7-2-1-6-25(28)23-37-16-14-27-30(8-5-9-31(27)37)36-19-17-35(18-20-36)15-3-4-21-39-26-12-10-24-11-13-32(38)34-29(24)22-26/h1-2,5-10,12,14,16,22H,3-4,11,13,15,17-21,23H2,(H,34,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
TUDBHIHVRZUNSF-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