General Information of the Compound
| Compound ID |
CP0474076
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[(3-methoxyquinolin-6-yl)methyl]-5-(3-methyl-1,2-thiazol-5-yl)triazolo[4,5-c]pyridin-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H16N6O2S
|
||||||||||||||||||
| Molecular Weight |
404.455
|
||||||||||||||||||
| Canonical SMILES |
COc1cnc2ccc(Cn3nnc4ccn(-c5cc(C)ns5)c(=O)c34)cc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H16N6O2S/c1-12-7-18(29-23-12)25-6-5-17-19(20(25)27)26(24-22-17)11-13-3-4-16-14(8-13)9-15(28-2)10-21-16/h3-10H,11H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
OESNLUUWYQGKDB-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