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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1572071
CHEMBL1572071
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C11H13N3O5S

Additional synonyms for CHEMBL1572071 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [O-][N+](=O)c1cccc(NC(=O)NC2CCS(=O)(=O)C2)c1
Standard InChI InChI=1S/C11H13N3O5S/c15-11(13-9-4-5-20(18,19)7-9)12-8-2-1-3 ...
Download InChI
Standard InChI Key WWMJKMPLBWUCKQ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1572071

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
299.3 299.0576 0.9 3 118.41 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 8 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.92 - .44 .44 1 20 0.63

Structural Alerts

There are 4 structural alerts for CHEMBL1572071. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WWMJKMPLBWUCKQ-UHFFFAOYSA-N
PubChem SID: 49825265

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1572071



eMolecules 2480514
Mcule MCULE-8220127680
MolPort MolPort-000-324-826
PubChem 2963335

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