General Information of the Compound
Compound ID
CP0520548
Compound Name
5-phenyl-2-(4-(piperidin-1-yl)butyl)oxazole
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Synonyms
5-phenyl-2-(4-(piperidin-1-yl)butyl)oxazole
CHEMBL1257573
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Structure
Formula
C18H24N2O
Molecular Weight
284.403
Canonical SMILES
C(CCc1ncc(o1)-c1ccccc1)CN1CCCCC1
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InChI
InChI=1S/C18H24N2O/c1-3-9-16(10-4-1)17-15-19-18(21-17)11-5-8-14-20-12-6-2-7-13-20/h1,3-4,9-10,15H,2,5-8,11-14H2
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InChIKey
XJINDZCEGQZNLD-UHFFFAOYSA-N
Physicochemical Property
logP
4.1502
Rotatable Bonds
6
Heavy Atom Count
21
Polar Areas
29.27
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
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: 52946272
ChEMBL ID
CHEMBL1257573
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 = 63 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 5-phenyl-2-(4-(piperidin-1-yl)butyl)oxazole )
Drug Name 5-phenyl-2-(4-(piperidin-1-yl)butyl)oxazole
Target(s)
Histamine H3 receptor (H3R)
Inhibitor