General Information of the Compound
Compound ID
CP0035157
Compound Name
N-(2-phenylcyclopropyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
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Structure
Formula
C26H25N5O2
Molecular Weight
439.519
Canonical SMILES
O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
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InChI
InChI=1S/C26H25N5O2/c32-26(28-23-16-20(23)17-6-2-1-3-7-17)31-14-12-19(13-15-31)25-29-24(30-33-25)22-11-10-18-8-4-5-9-21(18)27-22/h1-11,19-20,23H,12-16H2,(H,28,32)
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InChIKey
YZQWPJWDFKAQSN-UHFFFAOYSA-N
Physicochemical Property
logP
4.7299
Rotatable Bonds
4
Heavy Atom Count
33
Polar Areas
84.15
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
33

"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: 45271618
ChEMBL ID
CHEMBL551921
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 = 7 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 7 nM