ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL311031
CHEMBL311031
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H30N4O7S2

Additional synonyms for CHEMBL311031 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCNC(=O)N(C)S(=O)(=O)c1ccccc1c2ccc(Cn3c(nc(SC)c3C(=O)O)C(=O ...
Download SMILES
Standard InChI InChI=1S/C26H30N4O7S2/c1-5-15-27-26(34)29(3)39(35,36)20-10-8 ...
Download InChI
Standard InChI Key DDLNMLVTVFKHAT-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL311031

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
574.7 574.1556 3.94 11 147.9 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 2 1 11 2 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.63 - 4.71 1.58 3 39 0.26

Structural Alerts

There are 3 structural alerts for CHEMBL311031. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DDLNMLVTVFKHAT-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL311031



PubChem 44316061
ZINC ZINC000026478438

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