General Information of the Compound
Compound ID
CP0408674
Compound Name
3-fluoro-N-[4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
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Structure
Formula
C23H26FN5O2
Molecular Weight
423.492
Canonical SMILES
Fc1cccc(c1)C(=O)Nc1ccc(cc1)-c1nnc(NCCCN2CCCCC2)o1
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InChI
InChI=1S/C23H26FN5O2/c24-19-7-4-6-18(16-19)21(30)26-20-10-8-17(9-11-20)22-27-28-23(31-22)25-12-5-15-29-13-2-1-3-14-29/h4,6-11,16H,1-3,5,12-15H2,(H,25,28)(H,26,30)
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InChIKey
QFMZCKQBEUMUCY-UHFFFAOYSA-N
Physicochemical Property
logP
4.4159
Rotatable Bonds
8
Heavy Atom Count
31
Polar Areas
83.29
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
31

"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).

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PubChem ID
CID: 57663369
ChEMBL ID
CHEMBL2023916
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 = 316.23 nM
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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
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