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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL466560
CHEMBL466560
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H34O5

Additional synonyms for CHEMBL466560 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)OC[C@@]1(C)CCC[C@@]2(COC(=O)C)[C@H]1CC[C@]3(C)[C@@H]2C ...
Download SMILES
Standard InChI InChI=1S/C24H34O5/c1-16(25)28-14-22(3)9-5-10-24(15-29-17(2)2 ...
Download InChI
Standard InChI Key JBMZWHIPLKEEMI-OSFFKXSWSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL466560

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
402.5 402.2406 3.98 6 65.74 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 0 0 5 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 6.36 6.36 1 29 0.68

Structural Alerts

There are 2 structural alerts for CHEMBL466560. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JBMZWHIPLKEEMI-OSFFKXSWSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL466560



BindingDB 50261333
Nikkaji J2.604.781A
PubChem 24878744
PubChem: Thomson Pharma 50134164
ZINC ZINC000040395029

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