ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3187560
CHEMBL3187560
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula CH4N2S

Additional synonyms for CHEMBL3187560 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [NH4+].[S-]C#N
Standard InChI InChI=1S/CHNS.H3N/c2-1-3;/h3H;1H3
Standard InChI Key SOIFLUNRINLCBN-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL3187560

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
- - - - - -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
- - - - - -


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - - - - - -0

Structural Alerts

There are no structural alerts for CHEMBL3187560

Compound Cross References

ChemSpider ChemSpider:SOIFLUNRINLCBN-UHFFFAOYSA-N
PubChem SID: 144212284

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3187560



ACToR 101218-28-4 1762-95-4
Brenda 94489
eMolecules 712898 477566
EPA CompTox Dashboard DTXSID3029653
FDA SRS YYL9152Z1Y
Mcule MCULE-1340634414
MolPort MolPort-001-766-738 MolPort-001-794-519
PubChem 15666 13417437
PubChem: Thomson Pharma 135656233 15194158
SureChEMBL SCHEMBL36404

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