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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL173569
CHEMBL173569
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C32H46N4O9S

Additional synonyms for CHEMBL173569 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COC(=O)NCCCC(C)(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]2 ...
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Standard InChI InChI=1S/C32H46N4O9S/c1-32(2,14-8-15-34-30(38)42-3)21-36(46( ...
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Standard InChI Key KEPCCDBSKLGSTC-WNJKUOTESA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL173569

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
662.8 662.2986 2.88 15 178.75 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
10 4 1 13 5 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.42 3.06 3.29 3.29 2 46 0.16

Structural Alerts

There are 9 structural alerts for CHEMBL173569. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:KEPCCDBSKLGSTC-WNJKUOTESA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL173569



BindingDB 4693
PubChem 480469
ZINC ZINC000028020090

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