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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL325288
CHEMBL325288
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C21H42NO5P

Additional synonyms for CHEMBL325288 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCC\C=C/CCCCCCCC(=O)NCCC(O)P(=O)(O)O
Standard InChI InChI=1S/C21H42NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16- ...
Download InChI
Standard InChI Key MZENGNOXTCCUDF-KTKRTIGZSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL325288

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
419.5 419.2801 5.03 19 106.86 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 4 1 6 4 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.3 - 5.76 1.99 0 28 0.13

Structural Alerts

There are 10 structural alerts for CHEMBL325288. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MZENGNOXTCCUDF-KTKRTIGZSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL325288



PubChem 10180382
PubChem: Thomson Pharma 15175857
SureChEMBL SCHEMBL3448131

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