General Information of the Compound
| Compound ID |
CP0433736
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[1-[3-(5-methoxy-2-methylphenoxy)-4-methylpentyl]piperidin-4-yl]benzimidazol-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H42N4O4
|
||||||||||||||||||
| Molecular Weight |
546.712
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(Cc3c(C)noc3C)c2=O)C(C)C)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H42N4O4/c1-21(2)30(39-31-19-26(38-6)12-11-22(31)3)15-18-34-16-13-25(14-17-34)36-29-10-8-7-9-28(29)35(32(36)37)20-27-23(4)33-40-24(27)5/h7-12,19,21,25,30H,13-18,20H2,1-6H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
DNWBVIHRXCWTCQ-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