General Information of the Compound
| Compound ID |
CP0497582
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(1-(1-(4-isopropylcyclohexyl)piperidin-4-yl)-2-oxo-1,2-dihydroquinazolin-3(4H)-yl)-N-methylacetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H38N4O2
|
||||||||||||||||||
| Molecular Weight |
426.605
|
||||||||||||||||||
| Canonical SMILES |
CNC(=O)CN1Cc2ccccc2N(C2CCN(CC2)C2CCC(CC2)C(C)C)C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H38N4O2/c1-18(2)19-8-10-21(11-9-19)27-14-12-22(13-15-27)29-23-7-5-4-6-20(23)16-28(25(29)31)17-24(30)26-3/h4-7,18-19,21-22H,8-17H2,1-3H3,(H,26,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VAFKCMXVSAMWJK-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