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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2441600
CHEMBL2441600
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C31H28F6N2O4

Additional synonyms for CHEMBL2441600 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(NC(=O)C2=C(CC(NC2=O)(c3ccc(OCCCC(F)(F)F)cc3)C(F)(F)F ...
Download SMILES
Standard InChI InChI=1S/C31H28F6N2O4/c1-19-4-6-20(7-5-19)25-18-29(31(35,36) ...
Download InChI
Standard InChI Key FBBPRPJENPWDPL-UHFFFAOYSA-N

Sources

  • BindingDB Database
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2441600

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
606.6 606.1953 7.09 9 76.66 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 2 6 2 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.8 1.02 5.28 5.28 3 43 0.15

Structural Alerts

There are 3 structural alerts for CHEMBL2441600. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FBBPRPJENPWDPL-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2441600



BindingDB 50442178
PubChem 73348048
SureChEMBL SCHEMBL14990534

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