General Information of the Compound
Compound ID
CP0558354
Compound Name
(E)-1,5-diphenylpent-2-en-1-one
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Structure
Formula
C17H16O
Molecular Weight
236.314
Canonical SMILES
O=C(\C=C\CCc1ccccc1)c1ccccc1
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InChI
InChI=1S/C17H16O/c18-17(16-12-5-2-6-13-16)14-8-7-11-15-9-3-1-4-10-15/h1-6,8-10,12-14H,7,11H2/b14-8+
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InChIKey
WSCWRSSILDQLBE-RIYZIHGNSA-N
Physicochemical Property
logP
4.0583
Rotatable Bonds
5
Heavy Atom Count
18
Polar Areas
17.07
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Complexity
18

"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: 10879121
SID: 15924938
ChEMBL ID
CHEMBL2375494
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: PT02436, G-protein coupled receptor 52
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 650 nM
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