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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

Structural Alerts

There are no structural alerts for CHEMBL309176

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

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
IBM Patent System CEC460AEB4BC22CD16BE7DB55FA73CD4
IBM Patents US6573262 US20030069245
Mcule MCULE-5011831910
MolPort MolPort-003-941-103
Nikkaji J1.445.767D
PubChem 4223812
PubChem: Thomson Pharma 15221091
SureChEMBL SCHEMBL195641
ZINC ZINC00008819

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