General Information of the Compound
Compound ID
CP0035159
Compound Name
4-(3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidine-1-carboxamide
    Show/Hide
Structure
Formula
C23H25N5O2
Molecular Weight
403.486
Canonical SMILES
O=C(NC1CCc2ccccc2C1)N1CCC(CC1)c1nc(no1)-c1ccccn1
    Show/Hide
InChI
InChI=1S/C23H25N5O2/c29-23(25-19-9-8-16-5-1-2-6-18(16)15-19)28-13-10-17(11-14-28)22-26-21(27-30-22)20-7-3-4-12-24-20/h1-7,12,17,19H,8-11,13-15H2,(H,25,29)
    Show/Hide
InChIKey
BYFSZZCFOSXKJG-UHFFFAOYSA-N
Physicochemical Property
logP
3.5781
Rotatable Bonds
3
Heavy Atom Count
30
Polar Areas
84.15
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
30

"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: 44236322
SID: 85255619
ChEMBL ID
CHEMBL550242
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: PT01103, Bifunctional epoxide hydrolase 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 49 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 8 nM