General Information of the Compound
| Compound ID |
CP0402937
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
ethyl 4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]piperidine-1-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H30N4O2S
|
||||||||||||||||||
| Molecular Weight |
402.564
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)N1CCC(CCN2CCN(CC2)c2nsc3ccccc23)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H30N4O2S/c1-2-27-21(26)25-11-8-17(9-12-25)7-10-23-13-15-24(16-14-23)20-18-5-3-4-6-19(18)28-22-20/h3-6,17H,2,7-16H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
FQEKHPKAOCFEHM-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor