General Information of the Compound
| Compound ID |
CP0867065
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-benzo[1,3]dioxol-5-yl-1-cyclohexylmethyl-1-{2-[3-endo-(3-hydroxy-phenyl)-8-azabicyclo[3.2.1]oct-8-yl]ethyl}urea
Show/Hide
|
||||||||||||||||||
| Formula |
C30H39N3O4
|
||||||||||||||||||
| Molecular Weight |
505.659
|
||||||||||||||||||
| Canonical SMILES |
O=C(Nc1ccc2c(c1)OCO2)N(CCN1[C@@H]2CC[C@H]1C[C@@H](c1cccc(O)c1)C2)CC1CCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H39N3O4/c34-27-8-4-7-22(17-27)23-15-25-10-11-26(16-23)33(25)14-13-32(19-21-5-2-1-3-6-21)30(35)31-24-9-12-28-29(18-24)37-20-36-28/h4,7-9,12,17-18,21,23,25-26,34H,1-3,5-6,10-11,13-16,19-20H2,(H,31,35)/t23-,25+,26-
Show/Hide
|
||||||||||||||||||
| InChIKey |
UFWSTWFZMFARFW-YGTOKIDASA-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 | |||||||||||||||||||
| 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: PT01188, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor