ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL337080
CHEMBL337080
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C34H41F3N8O6

Additional synonyms for CHEMBL337080 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(NCC(c4ccccc4)c ...
Download SMILES
Standard InChI InChI=1S/C32H40N8O4.C2HF3O2/c1-2-34-30(43)27-25(41)26(42)31( ...
Download InChI
Standard InChI Key BGEHBWINRUCKMS-NYFSBHSYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL337080

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
600.7 600.3173 2.51 10 172.47 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
11 6 3 12 7 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.92 10.42 3.35 .6 4 44 0.16

Structural Alerts

There are no structural alerts for CHEMBL337080

Compound Cross References

ChemSpider ChemSpider:BGEHBWINRUCKMS-NYFSBHSYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL337080




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