General Information of the Compound
Compound ID
CP0564375
Compound Name
ethyl-[4-[2-(fluoromethoxy)phenyl]phenyl]-imino-oxo-lambda6-sulfane
    Show/Hide
Structure
Formula
C15H16FNO2S
Molecular Weight
293.363
Canonical SMILES
CCS(=N)(=O)c1ccc(cc1)-c1ccccc1OCF
    Show/Hide
InChI
InChI=1S/C15H16FNO2S/c1-2-20(17,18)13-9-7-12(8-10-13)14-5-3-4-6-15(14)19-11-16/h3-10,17H,2,11H2,1H3
    Show/Hide
InChIKey
ILSFMMZHDVQVAW-UHFFFAOYSA-N
Physicochemical Property
logP
4.08497
Rotatable Bonds
5
Heavy Atom Count
20
Polar Areas
50.15
Hydrogen Bond Donor Count
1
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 137364067
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: PT01195, D(1A) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000074 SK-N-MC Homo sapiens (Human)  1
1
EC50 = 30200 nM
   TI
   LI
   LO
   TS