ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1534878
CHEMBL1534878
Compound Name IPRONIAZID SULFATE
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C9H15N3O5S

Additional synonyms for CHEMBL1534878 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)NNC(=O)c1ccncc1.OS(=O)(=O)O
Standard InChI InChI=1S/C9H13N3O.H2O4S/c1-7(2)11-12-9(13)8-3-5-10-6-4-8;1-5 ...
Download InChI
Standard InChI Key FYEMNIIBXSJOLP-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1534878

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
179.2 179.1059 0.72 3 54.02 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.28 3.62 .41 .41 1 13 0.67

Structural Alerts

There are 6 structural alerts for CHEMBL1534878. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FYEMNIIBXSJOLP-UHFFFAOYSA-N
PubChem SID: 144204894 SID: 170466357 SID: 26748329 SID: 26748330

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1534878



ACToR 36504-56-0
EPA CompTox Dashboard DTXSID8045852
PubChem 5702132
SureChEMBL SCHEMBL15200763

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