General Information of the Compound
| Compound ID |
CP0380730
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4aS,9aR)-2-[2-(4-fluorophenyl)ethyl]-4a-(2-phenylethyl)-1,3,4,9a-tetrahydro-[1]benzofuro[2,3-c]pyridin-6-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H28FNO2
|
||||||||||||||||||
| Molecular Weight |
417.524
|
||||||||||||||||||
| Canonical SMILES |
Oc1ccc2O[C@H]3CN(CCc4ccc(F)cc4)CC[C@@]3(CCc3ccccc3)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H28FNO2/c28-22-8-6-21(7-9-22)13-16-29-17-15-27(14-12-20-4-2-1-3-5-20)24-18-23(30)10-11-25(24)31-26(27)19-29/h1-11,18,26,30H,12-17,19H2/t26-,27-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HQNQNLPPHFASRT-SVBPBHIXSA-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: PT01200, Delta-type opioid receptor
Protein ID: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor