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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL114976
CHEMBL114976
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H34NO4P

Additional synonyms for CHEMBL114976 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCc1ccc(CC[C@H](N)C[C@@H](O)P(=O)(O)O)cc1
Standard InChI InChI=1S/C19H34NO4P/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)13- ...
Download InChI
Standard InChI Key PGLFYYYVMFEVNN-OALUTQOASA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL114976

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
371.5 371.2225 4.57 13 113.59 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 4 0 5 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.15 10.26 4.5 1.56 1 25 0.3

Structural Alerts

There are 9 structural alerts for CHEMBL114976. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PGLFYYYVMFEVNN-OALUTQOASA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL114976



PubChem 44341466
ZINC ZINC000036178099

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