General Information of the Compound
Compound ID
CP0530807
Compound Name
3-(4-phenoxyphenyl)-1-[5-(trifluoromethyl)-1,3-oxazol-2-yl]propan-1-one
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Structure
Formula
C19H14F3NO3
Molecular Weight
361.319
Canonical SMILES
FC(F)(F)c1cnc(o1)C(=O)CCc1ccc(Oc2ccccc2)cc1
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InChI
InChI=1S/C19H14F3NO3/c20-19(21,22)17-12-23-18(26-17)16(24)11-8-13-6-9-15(10-7-13)25-14-4-2-1-3-5-14/h1-7,9-10,12H,8,11H2
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InChIKey
OJLANTBOTIWRTA-UHFFFAOYSA-N
Physicochemical Property
logP
5.3012
Rotatable Bonds
6
Heavy Atom Count
26
Polar Areas
52.33
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
26

"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: 24799820
SID: 49744300
ChEMBL ID
CHEMBL271792
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 = 1 nM
   TI
   LI
   LO
   TS