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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL357834
CHEMBL357834
Compound Name
ChEMBL Synonyms U-46619
Max Phase 0
Trade Names
Molecular Formula C21H34O4

Additional synonyms for CHEMBL357834 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCC[C@H](O)\C=C\[C@@H]1[C@@H](C\C=C/CCCC(=O)O)C2COC1C2
Standard InChI InChI=1S/C21H34O4/c1-2-3-6-9-17(22)12-13-19-18(16-14-20(19)2 ...
Download InChI
Standard InChI Key LQANGKSBLPMBTJ-REGKDVDGSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL357834

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
350.5 350.2457 4.14 12 66.76 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.76 - 4.23 1.62 0 25 0.41

Structural Alerts

There are 4 structural alerts for CHEMBL357834. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LQANGKSBLPMBTJ-REGKDVDGSA-N
Wikipedia U46619

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL357834



eMolecules 26750875
MolPort MolPort-003-931-083
PubChem 16219283
SureChEMBL SCHEMBL9361822

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