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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL268868
CHEMBL268868
Compound Name DAPH
ChEMBL Synonyms 4,5-DIANILINOPHTHALIMIDE
Max Phase 0
Trade Names
Molecular Formula C20H15N3O2

Additional synonyms for CHEMBL268868 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C1NC(=O)c2cc(Nc3ccccc3)c(Nc4ccccc4)cc12
Standard InChI InChI=1S/C20H15N3O2/c24-19-15-11-17(21-13-7-3-1-4-8-13)18(12 ...
Download InChI
Standard InChI Key AAALVYBICLMAMA-UHFFFAOYSA-N

Sources

  • Gene Expression Atlas Compounds
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL268868

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
329.4 329.1164 4.06 4 70.23 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 3 0 5 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.06 1.15 4.38 4.37 3 25 0.63

Structural Alerts

There are 1 structural alerts for CHEMBL268868. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:AAALVYBICLMAMA-UHFFFAOYSA-N
PubChem SID: 124891620 SID: 26753532 SID: 26753533 SID: 29215150 SID: 90341268

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL268868



ACToR 145915-58-8
Atlas 4,5-dianilinophthalimide
BindingDB 50040929
ChEBI 53110
eMolecules 537301
EPA CompTox Dashboard DTXSID4040393
FDA SRS Z13D008FZ2
IBM Patent System AE722659292C1007454FEEFE96518DF6
LINCS LSM-5309
MolPort MolPort-021-804-944
Nikkaji J587.895K
PubChem 1697
PubChem: Drugs of the Future 12014759
PubChem: Thomson Pharma 14826595
SureChEMBL SCHEMBL11017
ZINC ZINC000000006094

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