General Information of the Compound
| Compound ID |
CP0430499
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-Chloro-2-[1-(4-chloro-benzyl)-1,2,3,6-tetrahydro-pyridin-4-yl]-benzothiazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H16Cl2N2S
|
||||||||||||||||||
| Molecular Weight |
375.324
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(CN2CCC(=CC2)c2nc3cc(Cl)ccc3s2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H16Cl2N2S/c20-15-3-1-13(2-4-15)12-23-9-7-14(8-10-23)19-22-17-11-16(21)5-6-18(17)24-19/h1-7,11H,8-10,12H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
CAOZWYSSXXOCSD-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
Protein ID: PT01161, D(4) dopamine receptor