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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2303825
CHEMBL2303825
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H34N2O30S5

Additional synonyms for CHEMBL2303825 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CO[C@H]1O[C@H](COS(=O)(=O)O)[C@@H](O[C@@H]2O[C@@H]([C@@H](O[ ...
Download SMILES
Standard InChI InChI=1S/C19H34N2O30S5/c1-43-17-7(21-53(31,32)33)13(51-56(40 ...
Download InChI
Standard InChI Key XTOSKUWVIRIKJD-LUQVCBTISA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2303825

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
930.8 929.98 -8.55 18 497.2 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
24 12 3 32 12 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
-3.61 - -7.15 -15.9 0 56 0.06

Structural Alerts

There are 10 structural alerts for CHEMBL2303825. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XTOSKUWVIRIKJD-LUQVCBTISA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2303825



BindingDB 50421638
Nikkaji J1.719.607C
PubChem 71720265
ZINC ZINC000169729291

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