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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL211884
CHEMBL211884
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C21H40O4

Additional synonyms for CHEMBL211884 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@H]2CC[C@@H](O2)[C@@H ...
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Standard InChI InChI=1S/C21H40O4/c1-3-4-5-6-7-8-9-10-11-17(23)19-13-15-21(2 ...
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Standard InChI Key JJPMRTIXVDUCCW-UCGFNCKJSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL211884

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
356.6 356.2927 4.35 12 58.92 NEUTRAL


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
- - 4.36 4.36 0 25 0.51

Structural Alerts

There are 9 structural alerts for CHEMBL211884. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JJPMRTIXVDUCCW-UCGFNCKJSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL211884



BindingDB 50411093
Brenda 60283
PubChem 44413353
ZINC ZINC000036177366

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