General Information of the Compound
| Compound ID |
CP0438688
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]propyl]quinoline-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H24Cl2N4O
|
||||||||||||||||||
| Molecular Weight |
443.378
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(cc1Cl)N1CCN(CCCNC(=O)c2ccc3ccccc3n2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H24Cl2N4O/c24-19-8-7-18(16-20(19)25)29-14-12-28(13-15-29)11-3-10-26-23(30)22-9-6-17-4-1-2-5-21(17)27-22/h1-2,4-9,16H,3,10-15H2,(H,26,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WYJMUIVDGILSRO-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: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter