General Information of the Compound
Compound ID
CP0102467
Compound Name
1-(oxazolo[4,5-b]pyridin-2-yl)-6-phenylhexan-1-one
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Synonyms
1-(oxazolo[4,5-b]pyridin-2-yl)-6-phenylhexan-1-one
1-Oxazolo[4,5-b]pyridin-2-yl-6-phenyl-hexan-1-one
288862-83-9
ACM288862839
BDBM50161518
CHEMBL175854
CTK8E9849
DTXSID10435440
HMS3649E22
J-017316
LEI-104
MolPort-009-018-760
PHOP
RT-015038
SCHEMBL3964367
SR-01000946606
SR-01000946606-1
ZINC13611906
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Structure
Formula
C18H18N2O2
Molecular Weight
294.354
Canonical SMILES
O=C(CCCCCc1ccccc1)c1nc2ncccc2o1
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InChI
InChI=1S/C18H18N2O2/c21-15(18-20-17-16(22-18)12-7-13-19-17)11-6-2-5-10-14-8-3-1-4-9-14/h1,3-4,7-9,12-13H,2,5-6,10-11H2
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InChIKey
VPZHQLPAKFVGKX-UHFFFAOYSA-N
Physicochemical Property
logP
4.2086
Rotatable Bonds
7
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: 10085812
SID: 15072466
ChEMBL ID
CHEMBL175854
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 = 37.15 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 1-Oxazolo[4,5-b]pyridin-2-yl-6-phenyl-hexan-1-one )
Drug Name 1-Oxazolo[4,5-b]pyridin-2-yl-6-phenyl-hexan-1-one