General Information of the Compound
| Compound ID |
CP0463345
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(3-(1-((4-methoxynaphthalen-1-yl)methyl)piperidin-4-yl)-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-N-methylacetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H30N4O3
|
||||||||||||||||||
| Molecular Weight |
458.562
|
||||||||||||||||||
| Canonical SMILES |
CNC(=O)Cn1c2ccccc2n(C2CCN(Cc3ccc(OC)c4ccccc34)CC2)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H30N4O3/c1-28-26(32)18-30-23-9-5-6-10-24(23)31(27(30)33)20-13-15-29(16-14-20)17-19-11-12-25(34-2)22-8-4-3-7-21(19)22/h3-12,20H,13-18H2,1-2H3,(H,28,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QHRDUVAHHMAWAI-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