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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1970486
CHEMBL1970486
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C11H15ClN2O4S2

Additional synonyms for CHEMBL1970486 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CS(=O)(=O)Nc1ccc2C(CCl)CN(c2c1)S(=O)(=O)C
Standard InChI InChI=1S/C11H15ClN2O4S2/c1-19(15,16)13-9-3-4-10-8(6-12)7-14( ...
Download InChI
Standard InChI Key PVJOSQQNCACPKU-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1970486

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
338.8 338.0162 1.16 4 83.55 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.3 - .65 .6 1 20 0.83

Structural Alerts

There are 8 structural alerts for CHEMBL1970486. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PVJOSQQNCACPKU-UHFFFAOYSA-N
PubChem SID: 515974

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1970486



PubChem 384837

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