General Information of the Compound
| Compound ID |
CP0920194
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(2-(2-(benzyloxy)-5-(methylsulfonyl)phenyl)-5-methyl-1H-pyrrol-1-yl)benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H23NO5S
|
||||||||||||||||||
| Molecular Weight |
461.539
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(-c2cc(S(C)(=O)=O)ccc2OCc2ccccc2)n1-c1cccc(C(=O)O)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H23NO5S/c1-18-11-13-24(27(18)21-10-6-9-20(15-21)26(28)29)23-16-22(33(2,30)31)12-14-25(23)32-17-19-7-4-3-5-8-19/h3-16H,17H2,1-2H3,(H,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DDKHGKUKBCOFNU-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