General Information of the Compound
Compound ID
CP0478840
Compound Name
(R)-oxazol-2-yl(6-phenoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanone
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Structure
Formula
C20H17NO3
Molecular Weight
319.36
Canonical SMILES
O=C([C@@H]1CCc2cc(Oc3ccccc3)ccc2C1)c1ncco1
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InChI
InChI=1S/C20H17NO3/c22-19(20-21-10-11-23-20)16-7-6-15-13-18(9-8-14(15)12-16)24-17-4-2-1-3-5-17/h1-5,8-11,13,16H,6-7,12H2/t16-/m1/s1
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InChIKey
BZYBMRSVCITEJB-MRXNPFEDSA-N
Physicochemical Property
logP
4.4547
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
52.33
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
24

"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: 52951957
SID: 123103525
ChEMBL ID
CHEMBL1765846
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 = 410 nM
   TI
   LI
   LO
   TS