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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL306180
CHEMBL306180
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H32N4O6S2

Additional synonyms for CHEMBL306180 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCc1nc([S+](C)[O-])c(C(=O)O)n1Cc2ccc(cc2)c3ccccc3S(=O)(=O) ...
Download SMILES
Standard InChI InChI=1S/C26H32N4O6S2/c1-4-6-11-22-28-24(37(3)34)23(25(31)32 ...
Download InChI
Standard InChI Key YGZLBSNXCXQFNJ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL306180

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
560.7 560.1763 3.77 12 147.46 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 3 1 10 3 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
5.02 3.21 1.89 -2.25 3 38 0.31

Structural Alerts

There are 7 structural alerts for CHEMBL306180. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YGZLBSNXCXQFNJ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL306180



Nikkaji J1.358.376E
PubChem 10325487
PubChem: Thomson Pharma 15335028

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