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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL85327
CHEMBL85327
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H15NO3

Additional synonyms for CHEMBL85327 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)ON(C(=O)C)c1ccc2c(Cc3ccccc23)c1
Standard InChI InChI=1S/C17H15NO3/c1-11(19)18(21-12(2)20)15-7-8-17-14(10-15 ...
Download InChI
Standard InChI Key NFOMHWALMFWNAQ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL85327

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
281.3 281.1052 2.45 3 46.61 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 3.33 3.33 2 21 0.81

Structural Alerts

There are 5 structural alerts for CHEMBL85327. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NFOMHWALMFWNAQ-UHFFFAOYSA-N
Wikipedia Acetoxyacetylaminofluorene

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL85327



ACToR 6098-44-8
ChEBI 76331
EPA CompTox Dashboard DTXSID90209828
IBM Patent System 732F02CBD04639F14A82AEF393653A54
Nikkaji J2.239J
PubChem 22469
PubChem: Thomson Pharma 15165632
SureChEMBL SCHEMBL73231
ZINC ZINC000001635777

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