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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1435825
CHEMBL1435825
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C20H32O3

Additional synonyms for CHEMBL1435825 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCC\C=C/C[C@@H](O)\C=C\C=C/C\C=C/CCCC(=O)O
Standard InChI InChI=1S/C20H32O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9 ...
Download InChI
Standard InChI Key ZNHVWPKMFKADKW-ZYBDYUKJSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1435825

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
320.5 320.2351 5.34 14 57.53 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 1 3 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.75 - 5.16 2.54 0 23 0.26

Structural Alerts

There are 6 structural alerts for CHEMBL1435825. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZNHVWPKMFKADKW-ZYBDYUKJSA-N
PubChem SID: 26754748

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1435825



ChEBI 34144
Guide to Pharmacology 3405
KEGG Ligand C14822
LipidMaps LMFA03060008
Metabolights MTBLC34144
Nikkaji J260.110I
PubChem 5283156
PubChem: Thomson Pharma 14850506 14752679
SureChEMBL SCHEMBL1476445
ZINC ZINC000004546442

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