General Information of the Compound
| Compound ID |
CP0440609
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-methyl-5-(4-methylsulfonylphenyl)-1-phenyl-3-(2-propylsulfinylethyl)pyrrole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H27NO3S2
|
||||||||||||||||||
| Molecular Weight |
429.607
|
||||||||||||||||||
| Canonical SMILES |
CCC[S+]([O-])CCc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H27NO3S2/c1-4-15-28(25)16-14-20-17-23(19-10-12-22(13-11-19)29(3,26)27)24(18(20)2)21-8-6-5-7-9-21/h5-13,17H,4,14-16H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
DNBQXSBMDAHGHH-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: PT01898, Prostaglandin G/H synthase 1
Protein ID: PT01062, Prostaglandin G/H synthase 2