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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1232392
CHEMBL1232392
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C4H10O2S2

Additional synonyms for CHEMBL1232392 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O[C@H](CS)[C@H](O)CS
Standard InChI InChI=1S/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2/t3-,4-/m1/s1
Standard InChI Key VHJLVAABSRFDPM-QWWZWVQMSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1232392

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
154.3 154.0122 -0.43 3 40.46 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.28 - .12 .11 0 8 0.42

Structural Alerts

There are 6 structural alerts for CHEMBL1232392. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VHJLVAABSRFDPM-QWWZWVQMSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1232392



ACToR 27565-41-9
Brenda 59323 45 177 2807
ChEBI 42170
DrugBank DB02184
eMolecules 508015
EPA CompTox Dashboard DTXSID5041017
IBM Patent System 048DF4D59BE085108B50A9EC6F812D94
Metabolights MTBLC42170
MolPort MolPort-003-932-858
Nikkaji J64.633D
PDBe DTV
PubChem 446094
PubChem: Thomson Pharma 15170944 163551297
SureChEMBL SCHEMBL10601
ZINC ZINC000003852211

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