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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL331282
CHEMBL331282
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C11H17N3O3S

Additional synonyms for CHEMBL331282 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NCCCCNC(=O)c1ccc(cc1)S(=O)(=O)N
Standard InChI InChI=1S/C11H17N3O3S/c12-7-1-2-8-14-11(15)9-3-5-10(6-4-9)18( ...
Download InChI
Standard InChI Key ZDYFRIZTYRFPJC-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL331282

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
271.3 271.0991 -0.2 6 115.28 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 3 0 6 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.79 10.27 -.49 -3.19 1 18 0.62

Structural Alerts

There are 3 structural alerts for CHEMBL331282. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZDYFRIZTYRFPJC-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL331282



DrugBank DB03697
Nikkaji J2.037.666J
PDBe SAB
PubChem 1758

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