General Information of the Compound
Compound ID
CP0255115
Compound Name
1-Benzooxazol-2-yl-6-phenyl-hexan-1-one
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Synonyms
1-Benzooxazol-2-yl-6-phenyl-hexan-1-one
CHEMBL366907
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Structure
Formula
C19H19NO2
Molecular Weight
293.366
Canonical SMILES
O=C(CCCCCc1ccccc1)c1nc2ccccc2o1
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InChI
InChI=1S/C19H19NO2/c21-17(19-20-16-12-7-8-14-18(16)22-19)13-6-2-5-11-15-9-3-1-4-10-15/h1,3-4,7-10,12,14H,2,5-6,11,13H2
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InChIKey
PCLBCMUYLOBYMW-UHFFFAOYSA-N
Physicochemical Property
logP
4.8136
Rotatable Bonds
7
Heavy Atom Count
22
Polar Areas
43.1
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
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: 44387731
ChEMBL ID
CHEMBL366907
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 = 3630.78 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 1-Benzooxazol-2-yl-6-phenyl-hexan-1-one )
Drug Name 1-Benzooxazol-2-yl-6-phenyl-hexan-1-one