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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2398569
CHEMBL2398569
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C36H58O6

Additional synonyms for CHEMBL2398569 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(=C\COC(=O)C1(C)CCc2c(C)c( ...
Download SMILES
Standard InChI InChI=1S/C36H58O6/c1-24(2)13-10-14-25(3)15-11-16-26(4)17-12- ...
Download InChI
Standard InChI Key GLIRWLJIRNITTL-LTBGKYDCSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2398569

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
586.9 586.4233 9.09 18 82.06 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 2 6 1 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.23 - 11.48 7.87 1 42 0.14

Structural Alerts

There are 5 structural alerts for CHEMBL2398569. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GLIRWLJIRNITTL-LTBGKYDCSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2398569



BindingDB 50436211
PubChem 71682664

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