General Information of the Compound
Compound ID
CP0519797
Compound Name
2-methyl-N-[4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
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Structure
Formula
C24H29N5O2
Molecular Weight
419.529
Canonical SMILES
Cc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCN2CCCCC2)o1
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InChI
InChI=1S/C24H29N5O2/c1-18-8-3-4-9-21(18)22(30)26-20-12-10-19(11-13-20)23-27-28-24(31-23)25-14-7-17-29-15-5-2-6-16-29/h3-4,8-13H,2,5-7,14-17H2,1H3,(H,25,28)(H,26,30)
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InChIKey
HTPIPWUANWBTNQ-UHFFFAOYSA-N
Physicochemical Property
logP
4.58522
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: 57663418
ChEMBL ID
CHEMBL2022941
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 = 630.96 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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