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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL205510
CHEMBL205510
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H37N3O6S

Additional synonyms for CHEMBL205510 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCCCCN3C[C@H](O)[C@@H](O)[C@ ...
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Standard InChI InChI=1S/C24H37N3O6S/c1-26(2)19-11-7-10-18-17(19)9-8-12-22(1 ...
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Standard InChI Key ZGRFZJIZQMHGFV-CBJLPSGESA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL205510

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
495.6 495.2403 0.5 11 133.57 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 5 0 9 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12 6.89 1.68 1.56 2 34 0.28

Structural Alerts

There are 6 structural alerts for CHEMBL205510. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZGRFZJIZQMHGFV-CBJLPSGESA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL205510



BindingDB 50182796
PubChem 11956355
PubChem: Thomson Pharma 17400325
ZINC ZINC000028572765

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