General Information of the Compound
Compound ID
CP0511579
Compound Name
N-(2-methoxyphenyl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
    Show/Hide
Structure
Formula
C20H21N5O3
Molecular Weight
379.42
Canonical SMILES
COc1ccccc1NC(=O)N1CCC(CC1)c1nc(no1)-c1ccccn1
    Show/Hide
InChI
InChI=1S/C20H21N5O3/c1-27-17-8-3-2-6-15(17)22-20(26)25-12-9-14(10-13-25)19-23-18(24-28-19)16-7-4-5-11-21-16/h2-8,11,14H,9-10,12-13H2,1H3,(H,22,26)
    Show/Hide
InChIKey
JMJKAHDWWABZEC-UHFFFAOYSA-N
Physicochemical Property
logP
3.5517
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
93.38
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
28

"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: 56665496
ChEMBL ID
CHEMBL1823594
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