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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2030076
CHEMBL2030076
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C28H22F3NO3

Additional synonyms for CHEMBL2030076 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES FC(F)(F)Oc1ccc(OCC2Cc3ccccc3CN2C(=O)c4cccc5ccccc45)cc1
Standard InChI InChI=1S/C28H22F3NO3/c29-28(30,31)35-24-14-12-23(13-15-24)34 ...
Download InChI
Standard InChI Key HIPJBDWYTGOGHR-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2030076

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
477.5 477.1552 7.59 6 38.77 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 0 1 4 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 6.98 6.98 4 35 0.29

Structural Alerts

There are no structural alerts for CHEMBL2030076

Compound Cross References

ChemSpider ChemSpider:HIPJBDWYTGOGHR-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2030076



BindingDB 50383677
PubChem 70687919
SureChEMBL SCHEMBL16889026

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