General Information of the Compound
Compound ID
CP0468481
Compound Name
6-(furan-2-yl)chromen-2-one
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Structure
Formula
C13H8O3
Molecular Weight
212.204
Canonical SMILES
O=c1ccc2cc(ccc2o1)-c1ccco1
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InChI
InChI=1S/C13H8O3/c14-13-6-4-10-8-9(3-5-12(10)16-13)11-2-1-7-15-11/h1-8H
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InChIKey
HKTQGSVHSCFDJG-UHFFFAOYSA-N
Physicochemical Property
logP
3.053
Rotatable Bonds
1
Heavy Atom Count
16
Polar Areas
43.35
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
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: 53379592
SID: 125302170
ChEMBL ID
CHEMBL1835835
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: PT01172, Progesterone receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000078 T-47D Homo sapiens (Human)  1
1
IC50 = 1280 nM
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