General Information of the Compound
| Compound ID |
CP0402120
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2,6-difluoro-3-[(2-fluorophenyl)diazenyl]-N-(3-methoxy-1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide
Show/Hide
|
||||||||||||||||||
| Formula |
C20H13F3N6O2
|
||||||||||||||||||
| Molecular Weight |
426.358
|
||||||||||||||||||
| Canonical SMILES |
COc1n[nH]c2ncc(NC(=O)c3c(F)ccc(\N=N\c4ccccc4F)c3F)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H13F3N6O2/c1-31-20-11-8-10(9-24-18(11)28-29-20)25-19(30)16-13(22)6-7-15(17(16)23)27-26-14-5-3-2-4-12(14)21/h2-9H,1H3,(H,25,30)(H,24,28,29)/b27-26+
Show/Hide
|
||||||||||||||||||
| InChIKey |
BEWOSIHVWOCZFZ-CYYJNZCTSA-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 | |||||||||||||||||||
| 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