General Information of the Compound
Compound ID
CP0526583
Compound Name
6-(4-fluorophenyl)chromen-2-one
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Structure
Formula
C15H9FO2
Molecular Weight
240.233
Canonical SMILES
Fc1ccc(cc1)-c1ccc2oc(=O)ccc2c1
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InChI
InChI=1S/C15H9FO2/c16-13-5-1-10(2-6-13)11-3-7-14-12(9-11)4-8-15(17)18-14/h1-9H
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InChIKey
PLSIUGKFKAWUTD-UHFFFAOYSA-N
Physicochemical Property
logP
3.5991
Rotatable Bonds
1
Heavy Atom Count
18
Polar Areas
30.21
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
18

"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: 56594478
SID: 134226277
ChEMBL ID
CHEMBL1835827
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 = 210 nM
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