General Information of the Compound
| Compound ID |
CP0088762
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[4-(3,5-difluorophenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H15F2N3O3S
|
||||||||||||||||||
| Molecular Weight |
427.432
|
||||||||||||||||||
| Canonical SMILES |
Fc1cc(F)cc(c1)S(=O)(=O)c1ccc(CNC(=O)c2cc3cnccc3[nH]2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H15F2N3O3S/c22-15-8-16(23)10-18(9-15)30(28,29)17-3-1-13(2-4-17)11-25-21(27)20-7-14-12-24-6-5-19(14)26-20/h1-10,12,26H,11H2,(H,25,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DPYKXHOJAOLOOC-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