General Information of the Compound
| Compound ID |
CP0417902
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[3-[[2-(benzenesulfonyl)phenyl]methyl]-4-chloro-2-methylpyrrolo[3,2-c]pyridin-1-yl]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H19ClN2O4S
|
||||||||||||||||||
| Molecular Weight |
454.935
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(Cc2ccccc2S(=O)(=O)c2ccccc2)c2c(Cl)nccc2n1CC(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H19ClN2O4S/c1-15-18(22-19(11-12-25-23(22)24)26(15)14-21(27)28)13-16-7-5-6-10-20(16)31(29,30)17-8-3-2-4-9-17/h2-12H,13-14H2,1H3,(H,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IRJONEZYJNIUEK-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