General Information of the Compound
| Compound ID |
CP0392330
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-{1-[3-(2-Chloro-5-methyl-phenoxy)-3-phenyl-propyl]-piperidin-4-yl}-1,3-dihydro-benzoimidazol-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H30ClN3O2
|
||||||||||||||||||
| Molecular Weight |
476.02
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(Cl)c(OC(CCN2CCC(CC2)n2c3ccccc3[nH]c2=O)c2ccccc2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H30ClN3O2/c1-20-11-12-23(29)27(19-20)34-26(21-7-3-2-4-8-21)15-18-31-16-13-22(14-17-31)32-25-10-6-5-9-24(25)30-28(32)33/h2-12,19,22,26H,13-18H2,1H3,(H,30,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KIMJEJSRLGDDLS-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