General Information of the Compound
| Compound ID |
CP0877723
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3R,4S)-3-(benzofuran-2-ylmethyl)-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H21NO3
|
||||||||||||||||||
| Molecular Weight |
383.447
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc([C@@H]2[C@@H](Cc3cc4ccccc4o3)C(=O)N2c2ccccc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H21NO3/c1-28-20-13-11-17(12-14-20)24-22(25(27)26(24)19-8-3-2-4-9-19)16-21-15-18-7-5-6-10-23(18)29-21/h2-15,22,24H,16H2,1H3/t22-,24-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZNNZNLTXPVOZGN-ISKFKSNPSA-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: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2