General Information of the Compound
Compound ID
CP0148451
Compound Name
1-([1,3]oxazolo[4,5-b]pyridin-2-yl)decan-1-one
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Structure
Formula
C16H22N2O2
Molecular Weight
274.364
Canonical SMILES
CCCCCCCCCC(=O)c1nc2ncccc2o1
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InChI
InChI=1S/C16H22N2O2/c1-2-3-4-5-6-7-8-10-13(19)16-18-15-14(20-16)11-9-12-17-15/h9,11-12H,2-8,10H2,1H3
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InChIKey
ZISOEDFMAVZYAD-UHFFFAOYSA-N
Physicochemical Property
logP
4.5462
Rotatable Bonds
9
Heavy Atom Count
20
Polar Areas
55.99
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
20

"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: 22486175
ChEMBL ID
CHEMBL1812708
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
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