General Information of the Compound
Compound ID
CP0477332
Compound Name
N-phenyl-5-(3-piperidin-1-ylpropyl)-1,3,4-oxadiazol-2-amine
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Structure
Formula
C16H22N4O
Molecular Weight
286.379
Canonical SMILES
C(CN1CCCCC1)Cc1nnc(Nc2ccccc2)o1
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InChI
InChI=1S/C16H22N4O/c1-3-8-14(9-4-1)17-16-19-18-15(21-16)10-7-13-20-11-5-2-6-12-20/h1,3-4,8-9H,2,5-7,10-13H2,(H,17,19)
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InChIKey
QOADFJPSTCPRNI-UHFFFAOYSA-N
Physicochemical Property
logP
3.2317
Rotatable Bonds
6
Heavy Atom Count
21
Polar Areas
54.19
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
21

"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: 145984963
ChEMBL ID
CHEMBL4239599
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: PT01194, Histamine H3 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 1300 nM
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