General Information of the Compound
Compound ID
CP0511580
Compound Name
N-ethyl-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
    Show/Hide
Structure
Formula
C19H21N5O2
Molecular Weight
351.41
Canonical SMILES
CCNC(=O)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
    Show/Hide
InChI
InChI=1S/C19H21N5O2/c1-2-20-19(25)24-11-9-14(10-12-24)18-22-17(23-26-18)16-8-7-13-5-3-4-6-15(13)21-16/h3-8,14H,2,9-12H2,1H3,(H,20,25)
    Show/Hide
InChIKey
IHOUBZNKXSEIPA-UHFFFAOYSA-N
Physicochemical Property
logP
3.1937
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
84.15
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
26

"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: 56662175
ChEMBL ID
CHEMBL1823823
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: PT04361, Protein smoothened
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000109 COS-1 Chlorocebus aethiops (Green monkey)  1
1
IC50 > 2500 nM
   TI
   LI
   LO
   TS