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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL418364
CHEMBL418364
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H38O2S

Additional synonyms for CHEMBL418364 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCC\C=C/C\C=C/C\C=C/C=C/C(CCCS)CCCC(=O)O
Standard InChI InChI=1S/C23H38O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-22(1 ...
Download InChI
Standard InChI Key HPFMVRXUNVBIIS-CVJUOOOLSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL418364

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
378.6 378.2593 7.15 17 37.3 ACID


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.73 - 8.31 5.67 0 26 0.12

Structural Alerts

There are 12 structural alerts for CHEMBL418364. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HPFMVRXUNVBIIS-CVJUOOOLSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL418364



BindingDB 50024452
PubChem 44271955

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