General Information of the Compound
| Compound ID |
CP0433651
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-[6-chloro-2-(2-methylbutan-2-ylsulfanyl)-1H-benzimidazol-5-yl]piperazin-1-yl]ethanol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H27ClN4OS
|
||||||||||||||||||
| Molecular Weight |
382.961
|
||||||||||||||||||
| Canonical SMILES |
CCC(C)(C)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CCO)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H27ClN4OS/c1-4-18(2,3)25-17-20-14-11-13(19)16(12-15(14)21-17)23-7-5-22(6-8-23)9-10-24/h11-12,24H,4-10H2,1-3H3,(H,20,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BWOXGZOCGJWNKW-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: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor