General Information of the Compound
| Compound ID |
CP0885397
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Benzothiophen-4-yl N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]carbamate hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H26Cl3N3O2S
|
||||||||||||||||||
| Molecular Weight |
514.906
|
||||||||||||||||||
| Canonical SMILES |
Cl.O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)Oc1cccc2sccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H25Cl2N3O2S.ClH/c24-18-5-3-6-19(22(18)25)28-14-12-27(13-15-28)11-2-1-10-26-23(29)30-20-7-4-8-21-17(20)9-16-31-21;/h3-9,16H,1-2,10-15H2,(H,26,29);1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
RNKPXALUZYANRT-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: PT00943, D(3) dopamine receptor
Protein ID: PT01099, Fatty-acid amide hydrolase 1