ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL328033
CHEMBL328033
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C30H30F2N4O10S2

Additional synonyms for CHEMBL328033 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES FS(=O)(=O)c1ccc(cc1)C(=O)OCCCN2C(=O)N(CCCOC(=O)c3ccc(cc3)S(= ...
Download SMILES
Standard InChI InChI=1S/C30H30F2N4O10S2/c31-47(41,42)22-11-7-20(8-12-22)28( ...
Download InChI
Standard InChI Key LYIXTUFBFWFAFP-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL328033

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
708.7 708.1371 3.35 13 193.56 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
13 1 2 14 1 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.63 1.98 7.41 7.38 4 48 0.12

Structural Alerts

There are 17 structural alerts for CHEMBL328033. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LYIXTUFBFWFAFP-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL328033



BindingDB 50039678
Nikkaji J602.066F
PubChem 11765357
PubChem: Thomson Pharma 16873396
ZINC ZINC000049733785

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