General Information of the Compound
| Compound ID |
CP0103329
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-[2-(pyridin-4-ylmethylamino)pyridin-3-yl]-1,3,4-oxadiazol-2-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H14F2N6O3
|
||||||||||||||||||
| Molecular Weight |
424.367
|
||||||||||||||||||
| Canonical SMILES |
FC1(F)Oc2ccc(Nc3nnc(o3)-c3cccnc3NCc3ccncc3)cc2O1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H14F2N6O3/c21-20(22)30-15-4-3-13(10-16(15)31-20)26-19-28-27-18(29-19)14-2-1-7-24-17(14)25-11-12-5-8-23-9-6-12/h1-10H,11H2,(H,24,25)(H,26,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UUWCZQYGBSUBRG-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