General Information of the Compound
| Compound ID |
CP0345095
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-(6-chloro-2-(3-methylpentan-3-ylthio)-3H-benzo[d]imidazol-5-yl)piperazin-1-yl)ethanol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H29ClN4OS
|
||||||||||||||||||
| Molecular Weight |
396.988
|
||||||||||||||||||
| Canonical SMILES |
CCC(C)(CC)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CCO)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H29ClN4OS/c1-4-19(3,5-2)26-18-21-15-12-14(20)17(13-16(15)22-18)24-8-6-23(7-9-24)10-11-25/h12-13,25H,4-11H2,1-3H3,(H,21,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WFVCETXISNWHQS-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: PT01200, Delta-type opioid receptor
Protein ID: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor