ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2057323
CHEMBL2057323
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C43H37F3N4O6

Additional synonyms for CHEMBL2057323 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)C(F)(F)F.O=C1N(CCCNCCCNCCCN2C(=O)c3ccccc3C4=C2c5ccccc5 ...
Download SMILES
Standard InChI InChI=1S/C41H36N4O4.C2HF3O2/c46-38-30-16-5-3-14-28(30)36-34( ...
Download InChI
Standard InChI Key LFBROBFDCPLXOA-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2057323

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
648.8 648.2737 5.79 12 102.2 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.44 2.51 -1.45 6 49 0.16

Structural Alerts

There are 5 structural alerts for CHEMBL2057323. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LFBROBFDCPLXOA-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2057323



PubChem 11520587

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