General Information of the Compound
Compound ID
CP0387664
Compound Name
6-(3,5-difluorophenyl)chromen-2-one
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Structure
Formula
C15H8F2O2
Molecular Weight
258.223
Canonical SMILES
Fc1cc(F)cc(c1)-c1ccc2oc(=O)ccc2c1
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InChI
InChI=1S/C15H8F2O2/c16-12-6-11(7-13(17)8-12)9-1-3-14-10(5-9)2-4-15(18)19-14/h1-8H
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InChIKey
LWDADUCKGFCREN-UHFFFAOYSA-N
Physicochemical Property
logP
3.7382
Rotatable Bonds
1
Heavy Atom Count
19
Polar Areas
30.21
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
19

"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: 56594480
SID: 134226279
ChEMBL ID
CHEMBL1835829
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 = 560 nM
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