General Information of the Compound
| Compound ID |
CP0309394
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-ethoxymethyl-3-{1-[3-(5-methoxy-2-methylphenoxy)-4-methyl-pentyl]-piperidin-4-yl}-1,3-dihydrobenzimidazol-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H41N3O4
|
||||||||||||||||||
| Molecular Weight |
495.664
|
||||||||||||||||||
| Canonical SMILES |
CCOCn1c2ccccc2n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H41N3O4/c1-6-35-20-31-25-9-7-8-10-26(25)32(29(31)33)23-13-16-30(17-14-23)18-15-27(21(2)3)36-28-19-24(34-5)12-11-22(28)4/h7-12,19,21,23,27H,6,13-18,20H2,1-5H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
HYIYVZGBQLFOJY-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: PT01515, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor