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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL234421
CHEMBL234421
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C34H33Cl2F3N4O4

Additional synonyms for CHEMBL234421 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(Cc1cc(Cl)cc(C2=CC(=C(C#N)C(=O)N2)c3cc(ccc3Cl)C(F)(F)F)c1O ...
Download SMILES
Standard InChI InChI=1S/C34H33Cl2F3N4O4/c1-42(32(46)20-9-11-43(12-10-20)33( ...
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Standard InChI Key XYNFLQKEZVDXRD-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL234421

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
689.6 688.1831 6.12 7 113.74 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 2 8 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
6.28 - 5.65 4.45 2 47 0.36

Structural Alerts

There are 2 structural alerts for CHEMBL234421. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XYNFLQKEZVDXRD-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL234421



BindingDB 50209182
PubChem 44431598
SureChEMBL SCHEMBL2070256
ZINC ZINC000028821590

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