General Information of the Compound
| Compound ID |
CP0297660
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(2-((4-Pyridyl)methyl)aminophenyl)-5-(3,4-methylenedioxy)phenylamino-1,3,4-oxadiazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H17N5O3
|
||||||||||||||||||
| Molecular Weight |
387.399
|
||||||||||||||||||
| Canonical SMILES |
C(Nc1ccccc1-c1nnc(Nc2ccc3OCOc3c2)o1)c1ccncc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H17N5O3/c1-2-4-17(23-12-14-7-9-22-10-8-14)16(3-1)20-25-26-21(29-20)24-15-5-6-18-19(11-15)28-13-27-18/h1-11,23H,12-13H2,(H,24,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WDODXHIHBXLMFI-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