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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL265674
CHEMBL265674
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C2H4N4O2S2

Additional synonyms for CHEMBL265674 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1nnc(s1)S(=O)(=O)N
Standard InChI InChI=1S/C2H4N4O2S2/c3-1-5-6-2(9-1)10(4,7)8/h(H2,3,5)(H2,4,7 ...
Download InChI
Standard InChI Key VGMVBPQOACUDRU-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL265674

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
180.2 179.9776 -1.23 1 111.96 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 0 6 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.76 - -.9 -.97 1 10 0.56

Structural Alerts

There are 1 structural alerts for CHEMBL265674. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VGMVBPQOACUDRU-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL265674



ACToR 14949-00-9
BindingDB 10868
Brenda 2608
eMolecules 31592015
EPA CompTox Dashboard DTXSID10164324
FDA SRS F687N81LIZ
IBM Patent System 5D1185533C36DFF961C2C879D344A0B8
MolPort MolPort-022-374-081
Nikkaji J14.759A
PDBe 1SA
PubChem 84724
PubChem: Thomson Pharma 15219679
SureChEMBL SCHEMBL282413
ZINC ZINC000016969869

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/VGMVBPQOACUDRU-UHFFFAOYSA-N spacer
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