General Information of the Compound
| Compound ID |
CP0566916
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-chloro-1-[(3-cyanophenyl)methyl]-2-iminopyridine-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H11ClN4O
|
||||||||||||||||||
| Molecular Weight |
286.722
|
||||||||||||||||||
| Canonical SMILES |
NC(=O)c1cc(Cl)cn(Cc2cccc(c2)C#N)c1=N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H11ClN4O/c15-11-5-12(14(18)20)13(17)19(8-11)7-10-3-1-2-9(4-10)6-16/h1-5,8,17H,7H2,(H2,18,20)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DYAJWGPPARHWFY-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