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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL109429
CHEMBL109429
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C40H64N8O7

Additional synonyms for CHEMBL109429 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)CNC ...
Download SMILES
Standard InChI InChI=1S/C40H64N8O7/c1-11-25(6)34(38(53)43-21-28-20-42-26(7) ...
Download InChI
Standard InChI Key HQWUNRFDHMRGJE-DHWQJOKWSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL109429

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
769 768.4898 3.32 20 226.76 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
10 7 2 15 8 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.3 5.71 4.3 4.29 2 55 0.1

Structural Alerts

There are 5 structural alerts for CHEMBL109429. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HQWUNRFDHMRGJE-DHWQJOKWSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL109429



BindingDB 50010425
PubChem 15109751
ZINC ZINC000095546275

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