General Information of the Compound
| Compound ID |
CP0474697
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
14beta-Allyloxy-17-cyclopropylmethyl-4,5alpha-epoxy-3-hydroxy-6beta-(cinnamoylamino)morphinan
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H36N2O4
|
||||||||||||||||||
| Molecular Weight |
512.65
|
||||||||||||||||||
| Canonical SMILES |
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35OCC=C)NC(=O)\C=C\c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H36N2O4/c1-2-18-37-32-15-14-24(33-27(36)13-10-21-6-4-3-5-7-21)30-31(32)16-17-34(20-22-8-9-22)26(32)19-23-11-12-25(35)29(38-30)28(23)31/h2-7,10-13,22,24,26,30,35H,1,8-9,14-20H2,(H,33,36)/b13-10+/t24-,26-,30+,31+,32-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GICDOVUDOFRTQS-PGVSONQQSA-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: PT00983, Kappa-type opioid receptor
Protein ID: PT01549, Mu-type opioid receptor