General Information of the Compound
| Compound ID |
CP0417953
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-Methyl-5-[4-(methylsulfonyl)phenyl]-1-[4-(methoxy)phenyl]-1H-pyrrol-3-acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H21NO5S
|
||||||||||||||||||
| Molecular Weight |
399.468
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)-n1c(C)c(CC(O)=O)cc1-c1ccc(cc1)S(C)(=O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H21NO5S/c1-14-16(13-21(23)24)12-20(15-4-10-19(11-5-15)28(3,25)26)22(14)17-6-8-18(27-2)9-7-17/h4-12H,13H2,1-3H3,(H,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GKKGNVILYJJBKM-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