General Information of the Compound
| Compound ID |
CP0452044
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4-methoxyphenyl)-(2-propyl-1-benzothiophen-3-yl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H18O2S
|
||||||||||||||||||
| Molecular Weight |
310.418
|
||||||||||||||||||
| Canonical SMILES |
CCCc1sc2ccccc2c1C(=O)c1ccc(OC)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H18O2S/c1-3-6-17-18(15-7-4-5-8-16(15)22-17)19(20)13-9-11-14(21-2)12-10-13/h4-5,7-12H,3,6H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
NMDJLDALLMDAOQ-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: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2