General Information of the Compound
Compound ID
CP0425815
Compound Name
(S)-oxazol-2-yl(5-phenyl-2,3-dihydro-1H-inden-2-yl)methanone
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Structure
Formula
C19H15NO2
Molecular Weight
289.334
Canonical SMILES
O=C([C@H]1Cc2ccc(cc2C1)-c1ccccc1)c1ncco1
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InChI
InChI=1S/C19H15NO2/c21-18(19-20-8-9-22-19)17-11-15-7-6-14(10-16(15)12-17)13-4-2-1-3-5-13/h1-10,17H,11-12H2/t17-/m0/s1
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InChIKey
UZAVUULNGIZLJZ-KRWDZBQOSA-N
Physicochemical Property
logP
3.9393
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
43.1
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
22

"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: 52952702
SID: 123104354
ChEMBL ID
CHEMBL1765861
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 = 27 nM
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