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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL277294
CHEMBL277294
Compound Name PHTHALIMIDE
ChEMBL Synonyms Phthalimide | Isoindole-1,3-Dione
Max Phase 0
Trade Names
Molecular Formula C8H5NO2

Additional synonyms for CHEMBL277294 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C1NC(=O)c2ccccc12
Standard InChI InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-4H,(H,9,10, ...
Download InChI
Standard InChI Key XKJCHHZQLQNZHY-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL277294

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
147.1 147.032 0.66 0 46.17 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.39 - 1.15 1.15 1 11 0.55

Structural Alerts

There are 1 structural alerts for CHEMBL277294. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XKJCHHZQLQNZHY-UHFFFAOYSA-N
PubChem SID: 144208998 SID: 144213636
Wikipedia Phthalimide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL277294



ACToR 85-41-6
BindingDB 50350644
Brenda 103756 6052
ChEBI 38817
eMolecules 490875
EPA CompTox Dashboard DTXSID3026514
FDA SRS 1J6PQ7YI80
IBM Patent System C9FC61705C6FAEC84CA4AD6FB10B341D 2B80FA9120883E233761B0D8191F632F
Mcule MCULE-2271536382
MolPort MolPort-000-006-133
Nikkaji J4.918B
NMRShiftDB 10006179
PubChem 6809
PubChem: Thomson Pharma 15297419
SureChEMBL SCHEMBL64
ZINC ZINC000000157623

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