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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1361792
CHEMBL1361792
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H46NNaO8S

Additional synonyms for CHEMBL1361792 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O.[Na+].C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3 ...
Download SMILES
Standard InChI InChI=1S/C26H45NO7S.Na.H2O/c1-15(4-7-23(31)27-10-11-35(32,33 ...
Download InChI
Standard InChI Key RDAJAQDLEFHVNR-NEMAEHQESA-M

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1361792

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
515.7 515.2917 2.37 7 144.16 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 5 1 8 5 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.42 - .25 -3.25 0 35 0.33

Structural Alerts

There are 5 structural alerts for CHEMBL1361792. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RDAJAQDLEFHVNR-NEMAEHQESA-M
PubChem SID: 56463466

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1361792



eMolecules 29781378
MolPort MolPort-039-063-004
PubChem 23687511

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/RDAJAQDLEFHVNR-NEMAEHQESA-M spacer
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