General Information of the Compound
| Compound ID |
CP0402767
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(E)-3-(2-amino-1H-imidazol-5-yl)prop-2-enyl]pyridine-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C12H13N5O
|
||||||||||||||||||
| Molecular Weight |
243.27
|
||||||||||||||||||
| Canonical SMILES |
Nc1nc(\C=C\CNC(=O)c2cccnc2)c[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C12H13N5O/c13-12-16-8-10(17-12)4-2-6-15-11(18)9-3-1-5-14-7-9/h1-5,7-8H,6H2,(H,15,18)(H3,13,16,17)/b4-2+
Show/Hide
|
||||||||||||||||||
| InChIKey |
WWPFVCYALHBPCA-DUXPYHPUSA-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