General Information of the Compound
Compound ID
CP0418575
Compound Name
1-(2-hydroxyphenyl)-3-phenylpropan-1-one
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Structure
Formula
C15H14O2
Molecular Weight
226.275
Canonical SMILES
Oc1ccccc1C(=O)CCc1ccccc1
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InChI
InChI=1S/C15H14O2/c16-14-9-5-4-8-13(14)15(17)11-10-12-6-2-1-3-7-12/h1-9,16H,10-11H2
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InChIKey
JCPGMXJLFWGRMZ-UHFFFAOYSA-N
CAS
3516-95-8
Physicochemical Property
logP
3.2077
Rotatable Bonds
4
Heavy Atom Count
17
Polar Areas
37.3
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
17

"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: 77052
SID: 16180386
ChEMBL ID
CHEMBL490143
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: PT06782, Solute carrier family 28 member 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000896 PK15NTD Sus scrofa (Pig)  1
1
Ki > 100000 nM
   TI
   LI
   LO
   TS