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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL108708
CHEMBL108708
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C12H20N2O2S

Additional synonyms for CHEMBL108708 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CS(=O)(=O)N1CCC[C@H]1C#CCN2CCCC2
Standard InChI InChI=1S/C12H20N2O2S/c1-17(15,16)14-11-5-7-12(14)6-4-10-13-8 ...
Download InChI
Standard InChI Key QBSXRZSIPNJDKV-GFCCVEGCSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL108708

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
256.4 256.1245 0.51 2 40.62 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 0 0 4 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.27 2 1.08 0 17 0.68

Structural Alerts

There are 2 structural alerts for CHEMBL108708. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QBSXRZSIPNJDKV-GFCCVEGCSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL108708



PubChem 14730312
SureChEMBL SCHEMBL9694588
ZINC ZINC000000013556

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