General Information of the Compound
| Compound ID |
CP0439996
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4-chloro-1H-indol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H21ClN4O2
|
||||||||||||||||||
| Molecular Weight |
384.867
|
||||||||||||||||||
| Canonical SMILES |
Clc1cccc2[nH]c(cc12)C(=O)N1CCN(CCOc2cccnc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H21ClN4O2/c21-17-4-1-5-18-16(17)13-19(23-18)20(26)25-9-7-24(8-10-25)11-12-27-15-3-2-6-22-14-15/h1-6,13-14,23H,7-12H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
XDJJCVLGIOECKZ-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor