General Information of the Compound
| Compound ID |
CP0561496
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-[4-(2-chloro-3-ethylphenyl)piperazin-1-yl]butyl]-5-methylimidazo[2,1-b][1,3]thiazole-6-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H30ClN5OS
|
||||||||||||||||||
| Molecular Weight |
460.047
|
||||||||||||||||||
| Canonical SMILES |
CCc1cccc(N2CCN(CCCCNC(=O)c3nc4sccn4c3C)CC2)c1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H30ClN5OS/c1-3-18-7-6-8-19(20(18)24)28-13-11-27(12-14-28)10-5-4-9-25-22(30)21-17(2)29-15-16-31-23(29)26-21/h6-8,15-16H,3-5,9-14H2,1-2H3,(H,25,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VDXPHDCGJBDTON-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