General Information of the Compound
| Compound ID |
CP0425611
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2-chlorophenyl)-4-methyl-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H17ClN6O
|
||||||||||||||||||
| Molecular Weight |
428.883
|
||||||||||||||||||
| Canonical SMILES |
Cc1nc2ccc(cc2n2c(nnc12)-c1ccccc1Cl)C(=O)NCc1ccccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H17ClN6O/c1-14-21-28-29-22(17-7-2-3-8-18(17)24)30(21)20-12-15(9-10-19(20)27-14)23(31)26-13-16-6-4-5-11-25-16/h2-12H,13H2,1H3,(H,26,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AWMOIFLKHCCNSA-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