General Information of the Compound
Compound ID
CP0377198
Compound Name
8-hydroxy-5,10-dimethoxy-2-propyl-4H-benzo[h]chromen-4-one
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Formula
C18H18O5
Molecular Weight
314.337
Canonical SMILES
CCCc1cc(=O)c2c(OC)cc3cc(O)cc(OC)c3c2o1
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InChI
InChI=1S/C18H18O5/c1-4-5-12-9-13(20)17-14(21-2)7-10-6-11(19)8-15(22-3)16(10)18(17)23-12/h6-9,19H,4-5H2,1-3H3
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InChIKey
QUPYOVWNMKVWDO-UHFFFAOYSA-N
Physicochemical Property
logP
3.6215
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
68.9
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
23

"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: 85092471
ChEMBL ID
CHEMBL1172279
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 = 5900 nM
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