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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

Structural Alerts

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

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

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
IBM Patent System 732F02CBD04639F14A82AEF393653A54
IBM Patents US7326780 US5221609 US20040152084 US20060270039 EP1633867A2 WO2004046683A2 WO2004067776A1 US4469786 EP0984977A1 US20040146867 EP1478779A1 US20060167239 US4066510 EP0128018A2 US20040210044 WO2010037134A2 EP0251527A2 US20030125527 US6262252 WO2004039983A2 US6593465 EP1592968A2 WO2004070052A2 US5445966 US20060188927 EP1556496B1 WO1998052961A1 EP1587815A2 US20030124605 US7820374 WO2005000007A2 EP0128018B1 EP1947105A1 EP1592968B1 US20100162416 WO1987004165A1 WO1990008838A1 WO1990010715A1
Nikkaji J2.239J
PubChem 22469
PubChem: Thomson Pharma 15165632
SureChEMBL SCHEMBL73231

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