General Information of the Compound
| Compound ID |
CP0373662
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(3-(piperidin-1-yl)propylthio)-5-(pyridin-4-yl)-1,3,4-oxadiazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H20N4OS
|
||||||||||||||||||
| Molecular Weight |
304.419
|
||||||||||||||||||
| Canonical SMILES |
C(CSc1nnc(o1)-c1ccncc1)CN1CCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H20N4OS/c1-2-9-19(10-3-1)11-4-12-21-15-18-17-14(20-15)13-5-7-16-8-6-13/h5-8H,1-4,9-12H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
GYEWMVDUFBIODR-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