General Information of the Compound
| Compound ID |
CP0131800
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(1,3-benzodioxol-5-ylmethyl)-5-[3-methyl-5-(pyridin-4-ylmethylamino)imidazol-4-yl]-1,3,4-oxadiazol-2-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H19N7O3
|
||||||||||||||||||
| Molecular Weight |
405.418
|
||||||||||||||||||
| Canonical SMILES |
Cn1cnc(NCc2ccncc2)c1-c1nnc(NCc2ccc3OCOc3c2)o1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H19N7O3/c1-27-11-24-18(22-9-13-4-6-21-7-5-13)17(27)19-25-26-20(30-19)23-10-14-2-3-15-16(8-14)29-12-28-15/h2-8,11,22H,9-10,12H2,1H3,(H,23,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UQKIMTZGDDFLIL-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