General Information of the Compound
Compound ID
CP0494416
Compound Name
3-(4-hydroxyphenyl)-2-methoxyacrylic acid
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Structure
Formula
C10H10O4
Molecular Weight
194.186
Canonical SMILES
CO\C(=C/c1ccc(O)cc1)C(O)=O
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InChI
InChI=1S/C10H10O4/c1-14-9(10(12)13)6-7-2-4-8(11)5-3-7/h2-6,11H,1H3,(H,12,13)/b9-6-
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InChIKey
HUSAJBFJIABSAO-TWGQIWQCSA-N
Physicochemical Property
logP
1.4641
Rotatable Bonds
3
Heavy Atom Count
14
Polar Areas
66.76
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
14

"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: 15965811
SID: 22434942
ChEMBL ID
CHEMBL600469
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: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000836 H460/MX20 Homo sapiens (Human)  1
1
IC50 > 100000 nM
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   LI
   LO
   TS