General Information of the Compound
Compound ID
CP0373442
Compound Name
5-hydroxy-1-(4-hydroxyphenyl)-6-phenylhexan-3-one
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Structure
Formula
C18H20O3
Molecular Weight
284.355
Canonical SMILES
OC(CC(=O)CCc1ccc(O)cc1)Cc1ccccc1
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InChI
InChI=1S/C18H20O3/c19-16-9-6-14(7-10-16)8-11-17(20)13-18(21)12-15-4-2-1-3-5-15/h1-7,9-10,18-19,21H,8,11-13H2
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InChIKey
VCYPQOKOSXRSOW-UHFFFAOYSA-N
Physicochemical Property
logP
2.8876
Rotatable Bonds
7
Heavy Atom Count
21
Polar Areas
57.53
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
21

"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: 42613351
SID: 81048348
ChEMBL ID
CHEMBL1097449
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: PT02148, Transient receptor potential cation channel subfamily A member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
EC50 = 10700 nM
   TI
   LI
   LO
   TS
2
IC50 = 35100 nM
   TI
   LI
   LO
   TS
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
EC50 = 1000 nM
   TI
   LI
   LO
   TS
2
IC50 = 33500 nM
   TI
   LI
   LO
   TS