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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL76538
CHEMBL76538
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C32H43N5O6S2

Additional synonyms for CHEMBL76538 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCc1nc(SC)c(C(=O)NC(C(C)CC)C(=O)O)n1Cc2ccc(cc2)c3ccccc3S(= ...
Download SMILES
Standard InChI InChI=1S/C32H43N5O6S2/c1-6-9-14-26-34-30(44-5)28(29(38)35-27 ...
Download InChI
Standard InChI Key HHYNSLYWCJJEHR-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL76538

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
657.9 657.2655 5.29 16 159.49 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 4 2 11 4 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.22 3.69 5.27 .58 3 45 0.15

Structural Alerts

There are 2 structural alerts for CHEMBL76538. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HHYNSLYWCJJEHR-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL76538



PubChem 15210725

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