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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

Structural Alerts

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

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

Compound Cross References

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

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1435825



ChEBI 34144
IUPHAR 3405
KEGG Ligand C14822
Nikkaji J260.110I
PubChem 5283156
PubChem: Thomson Pharma 14850506 14752679
SureChEMBL SCHEMBL1476445

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