General Information of the Compound
| Compound ID |
CP0510278
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[3-[[2-(3-methoxyphenyl)sulfonylphenyl]methyl]-2-methyl-4-oxo-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-1-yl]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H24N2O6S
|
||||||||||||||||||
| Molecular Weight |
468.531
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(c1)S(=O)(=O)c1ccccc1Cc1c(C)n(CC(O)=O)c2CCNC(=O)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H24N2O6S/c1-15-19(23-20(10-11-25-24(23)29)26(15)14-22(27)28)12-16-6-3-4-9-21(16)33(30,31)18-8-5-7-17(13-18)32-2/h3-9,13H,10-12,14H2,1-2H3,(H,25,29)(H,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZERQTPKKHWULGF-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