General Information of the Compound
| Compound ID |
CP0391655
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-[4-[(3,3-dimethyl-2-phenylazetidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H25N3O2
|
||||||||||||||||||
| Molecular Weight |
387.483
|
||||||||||||||||||
| Canonical SMILES |
CC1(C)CN(Cc2ccc(Oc3ccc(cn3)C(N)=O)cc2)C1c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H25N3O2/c1-24(2)16-27(22(24)18-6-4-3-5-7-18)15-17-8-11-20(12-9-17)29-21-13-10-19(14-26-21)23(25)28/h3-14,22H,15-16H2,1-2H3,(H2,25,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SANDEZFLUQQASO-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: PT01200, Delta-type opioid receptor
Protein ID: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor