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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL362608
CHEMBL362608
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C41H54O10S

Additional synonyms for CHEMBL362608 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CSc1ccccc1C(=C)CC2(O)C3CC[C@@]4(C)C5C=CCOC[C@]5([C@@H](C)OC( ...
Download SMILES
Standard InChI InChI=1S/C41H54O10S/c1-23(30-14-11-12-15-31(30)52-10)21-41(4 ...
Download InChI
Standard InChI Key PAQJPEMZBIYXOB-QKKMZPQZSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL362608

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
738.9 738.3438 6.49 9 134.66 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
11 1 3 10 1 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.5 - 5.62 5.62 1 52 0.13

Structural Alerts

There are 4 structural alerts for CHEMBL362608. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PAQJPEMZBIYXOB-QKKMZPQZSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL362608



BindingDB 50158233
PubChem 44388822

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