General Information of the Compound
Compound ID
CP0168048
Compound Name
2-Hydroxy-1,2-di-thiophen-2-yl-ethanone
    Show/Hide
Structure
Formula
C10H8O2S2
Molecular Weight
224.306
Canonical SMILES
OC(C(=O)c1cccs1)c1cccs1
    Show/Hide
InChI
InChI=1S/C10H8O2S2/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8/h1-6,9,11H
    Show/Hide
InChIKey
OGWZIOZTPNLTCR-UHFFFAOYSA-N
Physicochemical Property
logP
2.7259
Rotatable Bonds
3
Heavy Atom Count
14
Polar Areas
37.3
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
14

"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: 2734800
SID: 15267158
ChEMBL ID
CHEMBL190660
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: PT02235, Cocaine esterase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 5610 nM
   TI
   LI
   LO
   TS