General Information of the Compound
Compound ID
CP0478869
Compound Name
7-hydroxy-4-methyl-2-oxochromene-3-carboxylic acid
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Structure
Formula
C11H8O5
Molecular Weight
220.18
Canonical SMILES
Cc1c(C(O)=O)c(=O)oc2cc(O)ccc12
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InChI
InChI=1S/C11H8O5/c1-5-7-3-2-6(12)4-8(7)16-11(15)9(5)10(13)14/h2-4,12H,1H3,(H,13,14)
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InChIKey
OVCRSNCXKKOFQL-UHFFFAOYSA-N
Physicochemical Property
logP
1.50522
Rotatable Bonds
1
Heavy Atom Count
16
Polar Areas
87.74
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
16

"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: 34177755
SID: 96043994
ChEMBL ID
CHEMBL2442505
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: PT06656, Monocarboxylate transporter 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000588 SiHa Homo sapiens (Human)  1
1
IC50 > 30000 nM
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