General Information of the Compound
Compound ID
CP0566444
Compound Name
3-phenyl-N-(3-piperidin-1-ylpropyl)-1,2,4-oxadiazole-5-carboxamide
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Structure
Formula
C17H22N4O2
Molecular Weight
314.389
Canonical SMILES
O=C(NCCCN1CCCCC1)c1nc(no1)-c1ccccc1
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InChI
InChI=1S/C17H22N4O2/c22-16(18-10-7-13-21-11-5-2-6-12-21)17-19-15(20-23-17)14-8-3-1-4-9-14/h1,3-4,8-9H,2,5-7,10-13H2,(H,18,22)
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InChIKey
YGHZXDYCIOGJGD-UHFFFAOYSA-N
Physicochemical Property
logP
2.3424
Rotatable Bonds
6
Heavy Atom Count
23
Polar Areas
71.26
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
23

"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: 145985731
ChEMBL ID
CHEMBL4242168
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 > 5000 nM
   TI
   LI
   LO
   TS