General Information of the Compound
| Compound ID |
CP0445366
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-Chloro-5-(3,5-diethoxy-phenyl)-1-(4-methanesulfonyl-phenyl)-1H-imidazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H21ClN2O4S
|
||||||||||||||||||
| Molecular Weight |
420.918
|
||||||||||||||||||
| Canonical SMILES |
CCOc1cc(OCC)cc(c1)-c1c(Cl)ncn1-c1ccc(cc1)S(C)(=O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H21ClN2O4S/c1-4-26-16-10-14(11-17(12-16)27-5-2)19-20(21)22-13-23(19)15-6-8-18(9-7-15)28(3,24)25/h6-13H,4-5H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
SBSPMKNAUUNSOY-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: PT00940, Prostaglandin G/H synthase 1
Protein ID: PT00901, Prostaglandin G/H synthase 2