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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL366563
CHEMBL366563
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C6H12N2O4S2

Additional synonyms for CHEMBL366563 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(CSSCC(N)C(=O)O)C(=O)O
Standard InChI InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H ...
Download InChI
Standard InChI Key LEVWYRKDKASIDU-UHFFFAOYSA-N

Structural Alerts

There are 12 structural alerts for CHEMBL366563. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL366563

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
240.3 240.0238 -6 7 177.23 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 4 0 6 6 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.7 8.72 .77 -1.85 0 14 0.25

Compound Cross References

ChemSpider ChemSpider:LEVWYRKDKASIDU-UHFFFAOYSA-N
PubChem SID: 26757950 SID: 29216463
Wikipedia Cystine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL366563



ACToR 56-89-3 923-32-0 24645-67-8
BindingDB 86199
ChEBI 17376 35492
eMolecules 496171
IBM Patent System 7F09A4C547F103F5F9D7A30310F20236
KEGG Ligand C01420
Mcule MCULE-2293704247
MolPort MolPort-001-779-797
Nikkaji J1.319F
PubChem 595 24798687
PubChem: Thomson Pharma 15019707
SureChEMBL SCHEMBL10224

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