General Information of the Compound
| Compound ID |
CP0409221
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-ethyl-4-methyl-1-(4-methylpyridin-3-yl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H18N6O
|
||||||||||||||||||
| Molecular Weight |
346.394
|
||||||||||||||||||
| Canonical SMILES |
CCNC(=O)c1ccc2nc(C)c3nnc(-c4cnccc4C)n3c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H18N6O/c1-4-21-19(26)13-5-6-15-16(9-13)25-17(12(3)22-15)23-24-18(25)14-10-20-8-7-11(14)2/h5-10H,4H2,1-3H3,(H,21,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MDTQFZDLEZMOSM-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
Protein ID: PT02512, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Protein ID: PT02047, cGMP-dependent 3',5'-cyclic phosphodiesterase