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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL156747
CHEMBL156747
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C10H16N4O7S

Additional synonyms for CHEMBL156747 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES N[C@H](CCC(=O)N[C@H](CSN=O)C(=O)NCC(=O)O)C(=O)O
Standard InChI InChI=1S/C10H16N4O7S/c11-5(10(19)20)1-2-7(15)13-6(4-22-14-21 ...
Download InChI
Standard InChI Key HYHSBSXUHZOYLX-PHDIDXHHSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL156747

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
336.3 336.074 -4.3 11 213.55 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
10 5 0 11 6 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.21 9.28 -2.12 -5.62 0 22 0.18

Structural Alerts

There are 14 structural alerts for CHEMBL156747. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HYHSBSXUHZOYLX-PHDIDXHHSA-N
PubChem SID: 11111537 SID: 11113591
Wikipedia S-Nitrosoglutathione

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL156747



PubChem 6603946
SureChEMBL SCHEMBL1147641

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