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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL117754
CHEMBL117754
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C20H40NO5P

Additional synonyms for CHEMBL117754 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCC\C=C/CCCCCCCC(=O)NCCOP(=O)(O)O
Standard InChI InChI=1S/C20H40NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16- ...
Download InChI
Standard InChI Key BCSUWOZFWWBYSX-KTKRTIGZSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL117754

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
405.5 405.2644 5.25 19 95.86 ACID


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.86 - 4.3 .03 0 27 0.15

Structural Alerts

There are 12 structural alerts for CHEMBL117754. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BCSUWOZFWWBYSX-KTKRTIGZSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL117754



BindingDB 50074700
MolPort MolPort-046-426-248
PubChem 44343825
SureChEMBL SCHEMBL13109914
ZINC ZINC000038153251

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