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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2398579
CHEMBL2398579
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H36O6

Additional synonyms for CHEMBL2398579 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCOC(=O)C1(C)CCc2c(C)c(OCC(=O)O)c(C)c(C)c2O1
Standard InChI InChI=1S/C24H36O6/c1-6-7-8-9-10-11-14-28-23(27)24(5)13-12-19 ...
Download InChI
Standard InChI Key BBFCQQTZKFDANQ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2398579

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
420.6 420.2512 5.06 11 82.06 ACID


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.23 - 6.08 2.47 1 30 0.4

Structural Alerts

There are 8 structural alerts for CHEMBL2398579. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BBFCQQTZKFDANQ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2398579



BindingDB 50436205
PubChem 71682513

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