General Information of the Compound
| Compound ID |
CP0542809
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-chloro-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoylpyridin-4-yl)pyridine-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H18ClF2N5O3S
|
||||||||||||||||||
| Molecular Weight |
445.879
|
||||||||||||||||||
| Canonical SMILES |
NS(=O)(=O)c1cc(NC(=O)c2ccc(Cl)nc2N2CCCC(F)(F)CC2)ccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H18ClF2N5O3S/c18-13-3-2-12(15(24-13)25-8-1-5-17(19,20)6-9-25)16(26)23-11-4-7-22-14(10-11)29(21,27)28/h2-4,7,10H,1,5-6,8-9H2,(H2,21,27,28)(H,22,23,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WJTFDOWBRLNSDR-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