General Information of the Compound
| Compound ID |
CP0450478
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2-chlorophenyl)-4-methyl-8-[(4-methylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]quinoxaline
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H23ClN6
|
||||||||||||||||||
| Molecular Weight |
406.921
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(Cc2ccc3nc(C)c4nnc(-c5ccccc5Cl)n4c3c2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H23ClN6/c1-15-21-25-26-22(17-5-3-4-6-18(17)23)29(21)20-13-16(7-8-19(20)24-15)14-28-11-9-27(2)10-12-28/h3-8,13H,9-12,14H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
QINZPNYWORORJH-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: PT01875, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Protein ID: PT02512, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Protein ID: PT02047, cGMP-dependent 3',5'-cyclic phosphodiesterase