General Information of the Compound
Compound ID
CP0442095
Compound Name
(S)-oxazol-2-yl(5-phenoxy-2,3-dihydro-1H-inden-2-yl)methanone
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Structure
Formula
C19H15NO3
Molecular Weight
305.333
Canonical SMILES
O=C([C@H]1Cc2ccc(Oc3ccccc3)cc2C1)c1ncco1
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InChI
InChI=1S/C19H15NO3/c21-18(19-20-8-9-22-19)15-10-13-6-7-17(12-14(13)11-15)23-16-4-2-1-3-5-16/h1-9,12,15H,10-11H2/t15-/m0/s1
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InChIKey
SNCKCAOSQQVTES-HNNXBMFYSA-N
Physicochemical Property
logP
4.0646
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
52.33
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: 52950988
SID: 123102492
ChEMBL ID
CHEMBL1765865
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 = 10 nM
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   LI
   LO
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