General Information of the Compound
| Compound ID |
CP0420149
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(1-{2-[1-(2-Chloro-5-methyl-phenoxy)-cyclohexyl]-2-hydroxy-ethyl}-piperidin-4-yl)-1,3-dihydro-benzoimidazol-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H34ClN3O3
|
||||||||||||||||||
| Molecular Weight |
484.04
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(Cl)c(OC2(CCCCC2)C(O)CN2CCC(CC2)n2c3ccccc3[nH]c2=O)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H34ClN3O3/c1-19-9-10-21(28)24(17-19)34-27(13-5-2-6-14-27)25(32)18-30-15-11-20(12-16-30)31-23-8-4-3-7-22(23)29-26(31)33/h3-4,7-10,17,20,25,32H,2,5-6,11-16,18H2,1H3,(H,29,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YHSQFQMXFCKVHU-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