General Information of the Compound
Compound ID
CP0389756
Compound Name
2,6-difluoro-N-[4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
    Show/Hide
Structure
Formula
C23H25F2N5O2
Molecular Weight
441.482
Canonical SMILES
Fc1cccc(F)c1C(=O)Nc1ccc(cc1)-c1nnc(NCCCN2CCCCC2)o1
    Show/Hide
InChI
InChI=1S/C23H25F2N5O2/c24-18-6-4-7-19(25)20(18)21(31)27-17-10-8-16(9-11-17)22-28-29-23(32-22)26-12-5-15-30-13-2-1-3-14-30/h4,6-11H,1-3,5,12-15H2,(H,26,29)(H,27,31)
    Show/Hide
InChIKey
LYOGAFJLMXTLFB-UHFFFAOYSA-N
Physicochemical Property
logP
4.555
Rotatable Bonds
8
Heavy Atom Count
32
Polar Areas
83.29
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
32

"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
CID: 24785864
ChEMBL ID
CHEMBL2023917
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
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000029 GH4C1 Rattus norvegicus (Rat)  1
1
EC50 = 251.19 nM
   TI
   LI
   LO
   TS
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 7943.28 nM
   TI
   LI
   LO
   TS