General Information of the Compound
Compound ID
CP0482257
Compound Name
(S)-(5-(pyridin-2-yl)oxazol-2-yl)(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
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Structure
Formula
C19H16N2O2
Molecular Weight
304.349
Canonical SMILES
O=C([C@H]1CCc2ccccc2C1)c1ncc(o1)-c1ccccn1
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InChI
InChI=1S/C19H16N2O2/c22-18(15-9-8-13-5-1-2-6-14(13)11-15)19-21-12-17(23-19)16-7-3-4-10-20-16/h1-7,10,12,15H,8-9,11H2/t15-/m0/s1
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InChIKey
ZUXSLBHXHKZMBY-HNNXBMFYSA-N
Physicochemical Property
logP
3.7244
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
55.99
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
23

"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: 52951454
SID: 123102996
ChEMBL ID
CHEMBL1765986
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 = 430 nM
   TI
   LI
   LO
   TS