General Information of the Compound
Compound ID
CP0392640
Compound Name
5-hydroxy-1-phenyldecan-3-one
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Structure
Formula
C16H24O2
Molecular Weight
248.366
Canonical SMILES
CCCCCC(O)CC(=O)CCc1ccccc1
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InChI
InChI=1S/C16H24O2/c1-2-3-5-10-15(17)13-16(18)12-11-14-8-6-4-7-9-14/h4,6-9,15,17H,2-3,5,10-13H2,1H3
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InChIKey
KSQWYVJTNHTCLR-UHFFFAOYSA-N
Physicochemical Property
logP
3.5196
Rotatable Bonds
9
Heavy Atom Count
18
Polar Areas
37.3
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
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: 57397938
ChEMBL ID
CHEMBL1950585
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)  1
1
IC50 = 56100 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)  1
1
IC50 > 50000 nM
   TI
   LI
   LO
   TS