General Information of the Compound
Compound ID
CP0504448
Compound Name
5,8-dihydroxy-10-methoxy-2-methyl-4H-benzo[h]chromen-4-one
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Formula
C15H12O5
Molecular Weight
272.256
Canonical SMILES
COc1cc(O)cc2cc(O)c3c(oc(C)cc3=O)c12
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InChI
InChI=1S/C15H12O5/c1-7-3-10(17)14-11(18)5-8-4-9(16)6-12(19-2)13(8)15(14)20-7/h3-6,16,18H,1-2H3
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InChIKey
LMPLCDBTXJVFFT-UHFFFAOYSA-N
Physicochemical Property
logP
2.67442
Rotatable Bonds
1
Heavy Atom Count
20
Polar Areas
79.9
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
SID: 14824153
ChEMBL ID
CHEMBL454794
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
CL000145 NCI-H460 Homo sapiens (Human)  1
1
IC50 = 12800 nM
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