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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL296895
CHEMBL296895
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H28FNO3

Additional synonyms for CHEMBL296895 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O[C@@](C(=O)OC1CN2CCC1CC2)(c3ccccc3)c4ccc(CCCF)cc4
Standard InChI InChI=1S/C24H28FNO3/c25-14-4-5-18-8-10-21(11-9-18)24(28,20-6 ...
Download InChI
Standard InChI Key HDCVIADZSOEXDV-GITCGBDTSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL296895

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
397.5 397.2053 3.46 7 49.77 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.37 8.7 3.34 2.03 2 29 0.73

Structural Alerts

There are 4 structural alerts for CHEMBL296895. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HDCVIADZSOEXDV-GITCGBDTSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL296895



BindingDB 50034872
PubChem 44292858

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