General Information of the Compound
| Compound ID |
CP0575404
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4,4-difluoroazepan-1-yl)-6-methyl-N-(2-sulfamoylpyridin-4-yl)pyridine-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H21F2N5O3S
|
||||||||||||||||||
| Molecular Weight |
425.461
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(C(=O)Nc2ccnc(c2)S(N)(=O)=O)c(n1)N1CCCC(F)(F)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H21F2N5O3S/c1-12-3-4-14(16(23-12)25-9-2-6-18(19,20)7-10-25)17(26)24-13-5-8-22-15(11-13)29(21,27)28/h3-5,8,11H,2,6-7,9-10H2,1H3,(H2,21,27,28)(H,22,24,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XNTIJNQHAHBOPV-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