General Information of the Compound
Compound ID
CP0082868
Compound Name
1-([1,3]oxazolo[4,5-b]pyridin-2-yl)dodecan-1-one
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Synonyms
1-(oxazolo[4,5-b]pyridin-2-yl)dodecan-1-one
1-OXAZOLO[4,5-B]PYRIDIN-2-YL-1-DODECANONE
1-[1,3]oxazolo[4,5-b]pyridin-2-yldodecan-1-one
1312AH
288862-73-7
ACM288862737
AKOS027301548
BDBM50350547
CHEMBL257307
HMS3649B18
MolPort-009-018-944
SCHEMBL3964457
SR-01000946699
ZINC34803705
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Structure
Formula
C18H26N2O2
Molecular Weight
302.418
Canonical SMILES
CCCCCCCCCCCC(=O)c1nc2ncccc2o1
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InChI
InChI=1S/C18H26N2O2/c1-2-3-4-5-6-7-8-9-10-12-15(21)18-20-17-16(22-18)13-11-14-19-17/h11,13-14H,2-10,12H2,1H3
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InChIKey
XUWBDQAPIZBSRY-UHFFFAOYSA-N
Physicochemical Property
logP
5.3264
Rotatable Bonds
11
Heavy Atom Count
22
Polar Areas
55.99
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
22

"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: 9972176
SID: 14949573
ChEMBL ID
CHEMBL257307
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
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 30.9 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 1-(oxazolo[4,5-b]pyridin-2-yl)dodecan-1-one )
Drug Name 1-(oxazolo[4,5-b]pyridin-2-yl)dodecan-1-one