General Information of the Compound
| Compound ID |
CP0472035
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[1-[[2-(benzenesulfonyl)phenyl]methyl]-2,6-dimethylpyrrolo[2,3-b]pyridin-3-yl]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H22N2O4S
|
||||||||||||||||||
| Molecular Weight |
434.517
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(CC(O)=O)c2ccc(C)nc2n1Cc1ccccc1S(=O)(=O)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H22N2O4S/c1-16-12-13-20-21(14-23(27)28)17(2)26(24(20)25-16)15-18-8-6-7-11-22(18)31(29,30)19-9-4-3-5-10-19/h3-13H,14-15H2,1-2H3,(H,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LDRZMIAENWFUJF-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