General Information of the Compound
Compound ID
CP0459034
Compound Name
7-fluoro-2-phenyl-4H-chromen-4-one
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Synonyms
2558-17-0
7-FLUORO-2-PHENYL-4H-1-BENZOPYRAN-4-ONE
7-Fluoroflavone
7-fluoranyl-2-phenyl-chromen-4-one
7-fluoro-2-phenyl-1-benzopyran-4-one
7-fluoro-2-phenyl-4H-chromen-4-one
7-fluoro-2-phenyl-chromen-4-one
7-fluoro-2-phenylchromen-4-one
AC1L657P
AC1Q4OJF
BDBM50310188
CHEMBL477846
DTXSID20294000
MB10484
NSC-93405
NSC93405
SCHEMBL12961037
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Structure
Formula
C15H9FO2
Molecular Weight
240.233
Canonical SMILES
Fc1ccc2c(c1)oc(cc2=O)-c1ccccc1
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InChI
InChI=1S/C15H9FO2/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-9H
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InChIKey
ZEYRNYUCQATYPC-UHFFFAOYSA-N
CAS
2558-17-0
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: 261394
SID: 14749550
ChEMBL ID
CHEMBL477846
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
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4
 Cell Line Info 
Trichoplusia ni (Cabbage looper)  1
1
IC50 = 12940 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( NSC-93405 )
Drug Name NSC-93405
Target(s)
Monoamine oxidase type B (MAO-B)
 Target Info 
Inhibitor