General Information of the Compound
Compound ID
CP0508607
Compound Name
(R)-oxazol-2-yl(6-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanone
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Structure
Formula
C20H17NO2
Molecular Weight
303.361
Canonical SMILES
O=C([C@@H]1CCc2cc(ccc2C1)-c1ccccc1)c1ncco1
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InChI
InChI=1S/C20H17NO2/c22-19(20-21-10-11-23-20)18-9-8-16-12-15(6-7-17(16)13-18)14-4-2-1-3-5-14/h1-7,10-12,18H,8-9,13H2/t18-/m1/s1
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InChIKey
JHEPBDLANPPKOW-GOSISDBHSA-N
Physicochemical Property
logP
4.3294
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
43.1
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
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: 52951349
SID: 123102871
ChEMBL ID
CHEMBL1765840
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 = 460 nM
   TI
   LI
   LO
   TS