General Information of the Compound
Compound ID
CP0497082
Compound Name
2-(4-Fluoro-phenyl)-7-methoxy-chromen-4-one
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Synonyms
2-(4-fluorophenyl)-7-methoxy-4H-chromen-4-one
4'-Fluoro-7-methoxyflavone
BDBM50310198
CHEMBL344504
SCHEMBL9142214
ZINC27557271
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Structure
Formula
C16H11FO3
Molecular Weight
270.259
Canonical SMILES
COc1ccc2c(c1)oc(cc2=O)-c1ccc(F)cc1
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InChI
InChI=1S/C16H11FO3/c1-19-12-6-7-13-14(18)9-15(20-16(13)8-12)10-2-4-11(17)5-3-10/h2-9H,1H3
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InChIKey
FQRUARKLFVTIIK-UHFFFAOYSA-N
Physicochemical Property
logP
3.6077
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
39.44
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
20

"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: 10378415
SID: 15393072
ChEMBL ID
CHEMBL344504
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: PT01362, Amine oxidase [flavin-containing] B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4 Trichoplusia ni (Cabbage looper)  1
1
IC50 = 5140 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 2-(4-fluorophenyl)-7-methoxy-4H-chromen-4-one )
Drug Name 2-(4-fluorophenyl)-7-methoxy-4H-chromen-4-one
Target(s)
Monoamine oxidase type B (MAO-B)
Inhibitor