General Information of the Compound
Compound ID
CP0373524
Compound Name
7-fluoro-2-(4-fluorophenyl)-4H-chromene-4-thione
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Synonyms
7-fluoro-2-(4-fluorophenyl)-4H-chromene-4-thione
CHEMBL599545
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Structure
Formula
C15H8F2OS
Molecular Weight
274.291
Canonical SMILES
Fc1ccc(cc1)-c1cc(=S)c2ccc(F)cc2o1
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InChI
InChI=1S/C15H8F2OS/c16-10-3-1-9(2-4-10)13-8-15(19)12-6-5-11(17)7-14(12)18-13/h1-8H
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InChIKey
JDKXGUUVCBWLSB-UHFFFAOYSA-N
Physicochemical Property
logP
5.10749
Rotatable Bonds
1
Heavy Atom Count
19
Polar Areas
13.14
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: 46231935
ChEMBL ID
CHEMBL599545
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 = 6890 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 7-fluoro-2-(4-fluorophenyl)-4H-chromene-4-thione )
Drug Name 7-fluoro-2-(4-fluorophenyl)-4H-chromene-4-thione
Target(s)
Monoamine oxidase type B (MAO-B)
Inhibitor