General Information of the Compound
| Compound ID |
CP0441307
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(6-(4-(N-cyclohexyl-N-methylsulfamoyl)benzyl)-5-methyl-6H-thieno[2,3-b]pyrrol-4-yl)acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H28N2O4S2
|
||||||||||||||||||
| Molecular Weight |
460.621
|
||||||||||||||||||
| Canonical SMILES |
CN(C1CCCCC1)S(=O)(=O)c1ccc(Cn2c(C)c(CC(O)=O)c3ccsc23)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H28N2O4S2/c1-16-21(14-22(26)27)20-12-13-30-23(20)25(16)15-17-8-10-19(11-9-17)31(28,29)24(2)18-6-4-3-5-7-18/h8-13,18H,3-7,14-15H2,1-2H3,(H,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GZAXKIGCUFYHJI-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: PT01054, Prostaglandin D2 receptor
Protein ID: PT01171, Prostaglandin D2 receptor 2