General Information of the Compound
Compound ID
CP0408672
Compound Name
2-fluoro-N-[4-[5-(3-morpholin-4-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
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Structure
Formula
C22H24FN5O3
Molecular Weight
425.464
Canonical SMILES
Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCN2CCOCC2)o1
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InChI
InChI=1S/C22H24FN5O3/c23-19-5-2-1-4-18(19)20(29)25-17-8-6-16(7-9-17)21-26-27-22(31-21)24-10-3-11-28-12-14-30-15-13-28/h1-2,4-9H,3,10-15H2,(H,24,27)(H,25,29)
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InChIKey
MUIPFQAYLPYEPC-UHFFFAOYSA-N
Physicochemical Property
logP
3.2622
Rotatable Bonds
8
Heavy Atom Count
31
Polar Areas
92.52
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
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: 24782306
SID: 49706654
ChEMBL ID
CHEMBL2022497
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 = 31622.78 nM
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