General Information of the Compound
Compound ID
CP0432104
Compound Name
N-[3-fluoro-4-[5-(4-morpholin-4-ylbutylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
    Show/Hide
Structure
Formula
C23H26FN5O3
Molecular Weight
439.491
Canonical SMILES
Fc1cc(NC(=O)c2ccccc2)ccc1-c1nnc(NCCCCN2CCOCC2)o1
    Show/Hide
InChI
InChI=1S/C23H26FN5O3/c24-20-16-18(26-21(30)17-6-2-1-3-7-17)8-9-19(20)22-27-28-23(32-22)25-10-4-5-11-29-12-14-31-15-13-29/h1-3,6-9,16H,4-5,10-15H2,(H,25,28)(H,26,30)
    Show/Hide
InChIKey
SAWMYGXCPFQAHP-UHFFFAOYSA-N
Physicochemical Property
logP
3.6523
Rotatable Bonds
9
Heavy Atom Count
32
Polar Areas
92.52
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
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: 57663421
ChEMBL ID
CHEMBL2022740
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 = 100 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 = 15848.93 nM
   TI
   LI
   LO
   TS