General Information of the Compound
| Compound ID |
CP0236547
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-1-methyl-6H-pyrrolo[2,3-c]pyridin-7-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H18F2N2O4S
|
||||||||||||||||||
| Molecular Weight |
444.459
|
||||||||||||||||||
| Canonical SMILES |
Cn1cc(-c2cc(CS(C)(=O)=O)ccc2Oc2ccc(F)cc2F)c2cc[nH]c(=O)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H18F2N2O4S/c1-26-11-17(15-7-8-25-22(27)21(15)26)16-9-13(12-31(2,28)29)3-5-19(16)30-20-6-4-14(23)10-18(20)24/h3-11H,12H2,1-2H3,(H,25,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LUILGIUVLRKZHB-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