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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL309176
CHEMBL309176
Compound Name SUNIFIRAM
ChEMBL Synonyms sunifiram
Max Phase 0
Trade Names
Molecular Formula C14H18N2O2

Additional synonyms for CHEMBL309176 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCC(=O)N1CCN(CC1)C(=O)c2ccccc2
Standard InChI InChI=1S/C14H18N2O2/c1-2-13(17)15-8-10-16(11-9-15)14(18)12-6 ...
Download InChI
Standard InChI Key DGOWDUFJCINDGI-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL309176

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
246.3 246.1368 1.13 2 40.62 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- .08 1.45 1.45 1 18 0.78

Structural Alerts

There are no structural alerts for CHEMBL309176

Compound Cross References

ChemSpider ChemSpider:DGOWDUFJCINDGI-UHFFFAOYSA-N
PubChem SID: 11111078 SID: 50106104 SID: 56463014 SID: 90340871
Wikipedia Sunifiram

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL309176



eMolecules 537376
EPA CompTox Dashboard DTXSID10400996
FDA SRS 66924E735K
IBM Patent System CEC460AEB4BC22CD16BE7DB55FA73CD4
Mcule MCULE-5011831910
MolPort MolPort-003-941-103
Nikkaji J1.445.767D
PubChem 4223812
PubChem: Thomson Pharma 15221091
SureChEMBL SCHEMBL195641
ZINC ZINC000000008819

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