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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL205277
CHEMBL205277
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H37N3O5S

Additional synonyms for CHEMBL205277 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@H]1[C@@H](O)[C@@H](O)[C@H](O)CN1CCCCCCNS(=O)(=O)c2cccc3c ...
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Standard InChI InChI=1S/C24H37N3O5S/c1-17-23(29)24(30)21(28)16-27(17)15-7-5 ...
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Standard InChI Key FDQWHWDUPVSADZ-UMWDTMKUSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL205277

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
479.6 479.2454 1.53 10 113.34 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 4 0 8 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12 7.67 2.35 1.8 2 33 0.38

Structural Alerts

There are 6 structural alerts for CHEMBL205277. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FDQWHWDUPVSADZ-UMWDTMKUSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL205277



BindingDB 50182797
PubChem 44410136
ZINC ZINC000036351346

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