General Information of the Compound
Compound ID
CP0494339
Compound Name
(R)-(6-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)(5-(pyridin-2-yl)oxazol-2-yl)methanone
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Structure
Formula
C25H20N2O2
Molecular Weight
380.447
Canonical SMILES
O=C([C@@H]1CCc2cc(ccc2C1)-c1ccccc1)c1ncc(o1)-c1ccccn1
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InChI
InChI=1S/C25H20N2O2/c28-24(25-27-16-23(29-25)22-8-4-5-13-26-22)21-12-11-19-14-18(9-10-20(19)15-21)17-6-2-1-3-7-17/h1-10,13-14,16,21H,11-12,15H2/t21-/m1/s1
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InChIKey
FKTFBJVEZUSJBH-OAQYLSRUSA-N
Physicochemical Property
logP
5.3914
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
55.99
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
29

"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: 52951691
SID: 123103252
ChEMBL ID
CHEMBL1765843
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 = 240 nM
   TI
   LI
   LO
   TS