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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL256769
CHEMBL256769
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C20H12F3NO6

Additional synonyms for CHEMBL256769 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1c(ccc2OC(=O)c3c(ccc4NC(=O)C=C(C)c34)c12)C(=O)OC(F)(F)F
Standard InChI InChI=1S/C20H12F3NO6/c1-8-7-13(25)24-11-5-3-9-15-12(29-19(27 ...
Download InChI
Standard InChI Key BOKVFPHZBOIKMY-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL256769

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
419.3 419.0617 3.78 2 98.6 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 1 0 7 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.6 - 2.92 2.92 4 30 0.3

Structural Alerts

There are 2 structural alerts for CHEMBL256769. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BOKVFPHZBOIKMY-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL256769



BindingDB 50373235
PubChem 44448685
ZINC ZINC000029043479

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