General Information of the Compound
Compound ID
CP0563118
Compound Name
N-(4-methoxyphenyl)-5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine
    Show/Hide
Structure
Formula
C15H20N4O2
Molecular Weight
288.351
Canonical SMILES
COc1ccc(Nc2nnc(o2)C2CCN(C)CC2)cc1
    Show/Hide
InChI
InChI=1S/C15H20N4O2/c1-19-9-7-11(8-10-19)14-17-18-15(21-14)16-12-3-5-13(20-2)6-4-12/h3-6,11H,7-10H2,1-2H3,(H,16,18)
    Show/Hide
InChIKey
WJWYUTOVHLEWKT-UHFFFAOYSA-N
Physicochemical Property
logP
2.631
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
63.42
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 145985673
ChEMBL ID
CHEMBL4237968
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