General Information of the Compound
Compound ID
CP0501450
Compound Name
(R)-oxazol-2-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
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Structure
Formula
C14H13NO2
Molecular Weight
227.263
Canonical SMILES
O=C([C@@H]1CCc2ccccc2C1)c1ncco1
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InChI
InChI=1S/C14H13NO2/c16-13(14-15-7-8-17-14)12-6-5-10-3-1-2-4-11(10)9-12/h1-4,7-8,12H,5-6,9H2/t12-/m1/s1
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InChIKey
DRQNDBIAKIWYMJ-GFCCVEGCSA-N
Physicochemical Property
logP
2.6624
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
43.1
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
17

"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: 52951578
SID: 123103127
ChEMBL ID
CHEMBL1765992
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: PT01099, Fatty-acid amide hydrolase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  1
1
Ki = 12000 nM
   TI
   LI
   LO
   TS