General Information of the Compound
Compound ID
CP0492748
Compound Name
4-methyl-2-methylsulfonyl-6-thiophen-2-ylpyrimidine
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Structure
Formula
C10H10N2O2S2
Molecular Weight
254.336
Canonical SMILES
Cc1cc(nc(n1)S(C)(=O)=O)-c1cccs1
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InChI
InChI=1S/C10H10N2O2S2/c1-7-6-8(9-4-3-5-15-9)12-10(11-7)16(2,13)14/h3-6H,1-2H3
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InChIKey
OKDDBKXLKHCAME-UHFFFAOYSA-N
Physicochemical Property
logP
1.91702
Rotatable Bonds
2
Heavy Atom Count
16
Polar Areas
59.92
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
16

"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: 97755228
ChEMBL ID
CHEMBL4068001
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: PT06266, Succinate dehydrogenase [ubiquinone] iron-sulfur subunit, mitochondrial
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS Homo sapiens (Human)  1
1
EC50 > 20000 nM
   TI
   LI
   LO
   TS