General Information of the Compound
Compound ID
CP0141855
Compound Name
1-([1,3]oxazolo[4,5-b]pyridin-2-yl)tetradecan-1-one
    Show/Hide
Structure
Formula
C20H30N2O2
Molecular Weight
330.472
Canonical SMILES
CCCCCCCCCCCCCC(=O)c1nc2ncccc2o1
    Show/Hide
InChI
InChI=1S/C20H30N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-14-17(23)20-22-19-18(24-20)15-13-16-21-19/h13,15-16H,2-12,14H2,1H3
    Show/Hide
InChIKey
XMGKTPPBIULHGK-UHFFFAOYSA-N
Physicochemical Property
logP
6.1066
Rotatable Bonds
13
Heavy Atom Count
24
Polar Areas
55.99
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
24

"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: 22486170
ChEMBL ID
CHEMBL1812707
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: PT04933, Diacylglycerol lipase-alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
IC50 = 74.13 nM
   TI
   LI
   LO
   TS