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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1863429
CHEMBL1863429
Compound Name Cyazofamid
ChEMBL Synonyms DNDI1729591
Max Phase 0
Trade Names
Molecular Formula C13H13ClN4O2S

Additional synonyms for CHEMBL1863429 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)S(=O)(=O)n1c(nc(Cl)c1c2ccc(C)cc2)C#N
Standard InChI InChI=1S/C13H13ClN4O2S/c1-9-4-6-10(7-5-9)12-13(14)16-11(8-15 ...
Download InChI
Standard InChI Key YXKMMRDKEKCERS-UHFFFAOYSA-N

Sources

  • Drugs for Neglected Diseases Initiative (DNDi)
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1863429

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
324.8 324.0448 2.54 3 87.37 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 3.1 3.1 2 21 0.87

Structural Alerts

There are 1 structural alerts for CHEMBL1863429. To view alerts please click here.

Compound Cross References

FRAC C - RESPIRATION
C4 - COMPLEX III: CYTOCHROME BC1(UBIQUINONE REDUCTASE) AT QI SITE
C421 - QII - FUNGICIDES (QUINONE INSIDE INHIBITORS)
C421A - CYANO-IMIDAZOLE
C421A1 - CYAZOFAMID
ChemSpider ChemSpider:YXKMMRDKEKCERS-UHFFFAOYSA-N
PubChem SID: 144211105 SID: 50113094

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1863429



ACToR 120116-88-3
ChEBI 81841
eMolecules 13732299
EPA CompTox Dashboard DTXSID9034492
FDA SRS QJC4S2YQ4B
IBM Patent System CA1D443D124A5AC4D77BAAAD7EED2FB2
KEGG Ligand C18573
Nikkaji J1.067.646K
PubChem 9862076
PubChem: Thomson Pharma 14826364
SureChEMBL SCHEMBL22923
ZINC ZINC000002526846

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