General Information of the Compound
Compound ID |
CP0443423
|
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Compound Name |
2-(1H-Indol-6-yl)-1-[1-(1-methylcyclooctyl)piperidin-4-yl]-1Hbenzimidazole
Show/Hide
|
||||||||||||||||||
Structure |
|
||||||||||||||||||
Formula |
C29H36N4
|
||||||||||||||||||
Molecular Weight |
440.635
|
||||||||||||||||||
Canonical SMILES |
CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1ccc2cc[nH]c2c1
Show/Hide
|
||||||||||||||||||
InChI |
InChI=1S/C29H36N4/c1-29(16-7-3-2-4-8-17-29)32-19-14-24(15-20-32)33-27-10-6-5-9-25(27)31-28(33)23-12-11-22-13-18-30-26(22)21-23/h5-6,9-13,18,21,24,30H,2-4,7-8,14-17,19-20H2,1H3
Show/Hide
|
||||||||||||||||||
InChIKey |
NPOOASADSCQJAU-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