General Information of the Compound
Compound ID
CP0468479
Compound Name
7-(dimethylamino)-6-(4-fluorophenyl)chromen-2-one
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Structure
Formula
C17H14FNO2
Molecular Weight
283.302
Canonical SMILES
CN(C)c1cc2oc(=O)ccc2cc1-c1ccc(F)cc1
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InChI
InChI=1S/C17H14FNO2/c1-19(2)15-10-16-12(5-8-17(20)21-16)9-14(15)11-3-6-13(18)7-4-11/h3-10H,1-2H3
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InChIKey
OUDRHYDJYSKBKI-UHFFFAOYSA-N
Physicochemical Property
logP
3.6651
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
33.45
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
21

"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: 56594350
SID: 134226135
ChEMBL ID
CHEMBL1835819
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 = 470 nM
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