General Information of the Compound
Compound ID
CP0410780
Compound Name
bis(4-hydroxy-3-methoxyphenyl)methanone
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Structure
Formula
C15H14O5
Molecular Weight
274.272
Canonical SMILES
COc1cc(ccc1O)C(=O)c1ccc(O)c(OC)c1
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InChI
InChI=1S/C15H14O5/c1-19-13-7-9(3-5-11(13)16)15(18)10-4-6-12(17)14(8-10)20-2/h3-8,16-17H,1-2H3
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InChIKey
OKLYRUHUWRVLPC-UHFFFAOYSA-N
Physicochemical Property
logP
2.346
Rotatable Bonds
4
Heavy Atom Count
20
Polar Areas
75.99
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
20

"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: 15740213
ChEMBL ID
CHEMBL4527448
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: PT02209, Organic anion transporter 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 2300 nM
   TI
   LI
   LO
   TS
Protein ID: PT04064, Solute carrier family 22 member 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 3500 nM
   TI
   LI
   LO
   TS