General Information of the Compound
| Compound ID |
CP0335783
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-{1-[3-(5-methoxy-2-methyl-phenoxy)-4-methylpentyl]-piperidin-4-yl}-3-(2-methylsulfanyl-ethyl)-1,3-dihydro-benzimidazol-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H41N3O3S
|
||||||||||||||||||
| Molecular Weight |
511.732
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CCSC)c2=O)C(C)C)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H41N3O3S/c1-21(2)27(35-28-20-24(34-4)11-10-22(28)3)14-17-30-15-12-23(13-16-30)32-26-9-7-6-8-25(26)31(29(32)33)18-19-36-5/h6-11,20-21,23,27H,12-19H2,1-5H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
RYRWIHMMTQHAQP-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: PT01515, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor