General Information of the Compound
| Compound ID |
CP0461169
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[1-[3-(5-methoxy-2-methylphenoxy)-4-methylpentyl]piperidin-4-yl]-3-(pyrazin-2-ylmethyl)benzimidazol-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H39N5O3
|
||||||||||||||||||
| Molecular Weight |
529.685
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(Cc3cnccn3)c2=O)C(C)C)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H39N5O3/c1-22(2)29(39-30-19-26(38-4)10-9-23(30)3)13-18-34-16-11-25(12-17-34)36-28-8-6-5-7-27(28)35(31(36)37)21-24-20-32-14-15-33-24/h5-10,14-15,19-20,22,25,29H,11-13,16-18,21H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
IVZMHEWNZZMPTO-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