General Information of the Compound
| Compound ID |
CP0409179
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-chloro-1-[(3-chloro-5-methylsulfonylphenyl)methyl]-2-iminopyridine-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H13Cl2N3O3S
|
||||||||||||||||||
| Molecular Weight |
374.249
|
||||||||||||||||||
| Canonical SMILES |
CS(=O)(=O)c1cc(Cl)cc(Cn2cc(Cl)cc(C(N)=O)c2=N)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H13Cl2N3O3S/c1-23(21,22)11-3-8(2-9(15)4-11)6-19-7-10(16)5-12(13(19)17)14(18)20/h2-5,7,17H,6H2,1H3,(H2,18,20)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BGAKUHVSAPLQTR-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