General Information of the Compound
| Compound ID |
CP0450474
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-[5-[3-(4,4-difluoropiperidin-1-yl)propylamino]-1,3,4-oxadiazol-2-yl]phenyl]-2-fluorobenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H24F3N5O2
|
||||||||||||||||||
| Molecular Weight |
459.472
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCN2CCC(F)(F)CC2)o1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H24F3N5O2/c24-19-5-2-1-4-18(19)20(32)28-17-8-6-16(7-9-17)21-29-30-22(33-21)27-12-3-13-31-14-10-23(25,26)11-15-31/h1-2,4-9H,3,10-15H2,(H,27,30)(H,28,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JPCKZRYOJOWONY-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
Protein ID: PT01846, Neuronal acetylcholine receptor subunit alpha-7
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2