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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2335047
CHEMBL2335047
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C22H47O5PS

Additional synonyms for CHEMBL2335047 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCCCCCCCCCCCOC[C@@H](COP(=S)(O)O)OC
Standard InChI InChI=1S/C22H47O5PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17 ...
Download InChI
Standard InChI Key JYAROLONGLXUOT-QFIPXVFZSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2335047

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
454.6 454.2882 7.95 23 110.05 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 1 5 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.83 - 7.99 3.72 0 29 0.12

Structural Alerts

There are 16 structural alerts for CHEMBL2335047. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JYAROLONGLXUOT-QFIPXVFZSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2335047



BindingDB 50430010
PubChem 71720690

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