General Information of the Compound
Compound ID
CP0433981
Compound Name
N-(1-oxo-3H-2-benzofuran-5-yl)-2-(4-oxo-2-phenylchromen-3-yl)oxyacetamide
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Structure
Formula
C25H17NO6
Molecular Weight
427.412
Canonical SMILES
O=C(COc1c(oc2ccccc2c1=O)-c1ccccc1)Nc1ccc2C(=O)OCc2c1
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InChI
InChI=1S/C25H17NO6/c27-21(26-17-10-11-18-16(12-17)13-31-25(18)29)14-30-24-22(28)19-8-4-5-9-20(19)32-23(24)15-6-2-1-3-7-15/h1-12H,13-14H2,(H,26,27)
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InChIKey
CWWSDSMEMDBKEH-UHFFFAOYSA-N
Physicochemical Property
logP
4.1479
Rotatable Bonds
5
Heavy Atom Count
32
Polar Areas
94.84
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
32

"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: 155514114
ChEMBL ID
CHEMBL4440031
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
CL000839 MDCK2/BCRP Canis lupus familiaris (Dog)  1
1
IC50 = 13100 nM
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