General Information of the Compound
Compound ID
CP0575898
Compound Name
4-azido-2-methylsulfonyl-6-thiophen-2-ylpyrimidine
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Structure
Formula
C9H7N5O2S2
Molecular Weight
281.322
Canonical SMILES
CS(=O)(=O)c1nc(cc(n1)-c1cccs1)N=[N+]=[N-]
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InChI
InChI=1S/C9H7N5O2S2/c1-18(15,16)9-11-6(7-3-2-4-17-7)5-8(12-9)13-14-10/h2-5H,1H3
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InChIKey
SKGZKGPXBVJODU-UHFFFAOYSA-N
Physicochemical Property
logP
2.5504
Rotatable Bonds
3
Heavy Atom Count
18
Polar Areas
108.68
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
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: 134201857
ChEMBL ID
CHEMBL4089190
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
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   LI
   LO
   TS