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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2037181
CHEMBL2037181
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H31NO5S

Additional synonyms for CHEMBL2037181 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCc1cc(OC2CCCC2)ccc1OCCCOc3cccc(c3)[C@@H]4SC(=O)NC4=O
Standard InChI InChI=1S/C26H31NO5S/c1-2-7-18-16-22(32-20-9-3-4-10-20)12-13- ...
Download InChI
Standard InChI Key BZLTUCWBZRKZHF-DEOSSOPVSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2037181

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
469.6 469.1923 5.83 11 73.86 ACID


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
5.97 - 5.96 4.62 2 33 0.42

Structural Alerts

There are 3 structural alerts for CHEMBL2037181. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BZLTUCWBZRKZHF-DEOSSOPVSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2037181



PubChem 70692371
ZINC ZINC000013553663

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