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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL337834
CHEMBL337834
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C44H68N6O6

Additional synonyms for CHEMBL337834 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCCCCCCCC(=O)Nc3ccc4C[C@@H]( ...
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Standard InChI InChI=1S/C44H68N6O6/c1-29(2)41-43(55)48-36(28-52)25-32-24-33 ...
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Standard InChI Key QZVQSVZEEJEZSI-YXRKCGNLSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL337834

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
777.1 776.52 5.93 19 163.34 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 6 3 12 6 4


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 3.68 4.65 4.65 2 56 0.1

Structural Alerts

There are 8 structural alerts for CHEMBL337834. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QZVQSVZEEJEZSI-YXRKCGNLSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL337834



BindingDB 50133236
PubChem 44355185
ZINC ZINC000095611265

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