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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

Structural Alerts

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

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

Compound Cross References

ChemSpider ChemSpider:LQANGKSBLPMBTJ-REGKDVDGSA-N
Wikipedia U46619

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL357834



eMolecules 26750875
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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