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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL311469
CHEMBL311469
Compound Name 2-ACETYLAMINOFLUORENE
ChEMBL Synonyms 2-AAF | 2-Acetylaminofluorene
Max Phase 0
Trade Names
Molecular Formula C15H13NO

Additional synonyms for CHEMBL311469 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)Nc1ccc2c(Cc3ccccc23)c1
Standard InChI InChI=1S/C15H13NO/c1-10(17)16-13-6-7-15-12(9-13)8-11-4-2-3-5 ...
Download InChI
Standard InChI Key CZIHNRWJTSTCEX-UHFFFAOYSA-N

Sources

  • DrugMatrix
  • Gene Expression Atlas Compounds
  • Open TG-GATEs
  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database

Alternate Forms of Compound in ChEMBL


CHEMBL311469

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
223.3 223.0997 2.61 1 29.1 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- .62 3.26 3.26 2 17 0.79

Structural Alerts

There are no structural alerts for CHEMBL311469

Compound Cross References

ChemSpider ChemSpider:CZIHNRWJTSTCEX-UHFFFAOYSA-N
PubChem SID: 144208028
Wikipedia 2-Acetylaminofluorene

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL311469



ACToR 53-96-3 2508-21-6
Atlas acetamidofluorene
Brenda 43062 21454 35087
ChEBI 17356
eMolecules 474366
EPA CompTox Dashboard DTXSID0039227
FDA SRS 9M98QLJ2DL
IBM Patent System 7E97066B781FA52AA7C22232C4E8C704
KEGG Ligand C02778
LINCS LSM-37153
Mcule MCULE-6066498727
MolPort MolPort-001-788-441
Nikkaji J2.312D
NMRShiftDB 10017863
PDBe AFF
PubChem 5897
PubChem: Thomson Pharma 15245160
Rhea 17356
SureChEMBL SCHEMBL75140
ZINC ZINC000000154557

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