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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL364797
CHEMBL364797
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H39O7P

Additional synonyms for CHEMBL364797 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O
Standard InChI InChI=1S/C19H39O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(2 ...
Download InChI
Standard InChI Key YNDYKPRNFWPPFU-GOSISDBHSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL364797

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
410.5 410.2433 4.48 19 113.29 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 0 7 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.82 - 4.09 -.19 0 27 0.16

Structural Alerts

There are 16 structural alerts for CHEMBL364797. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YNDYKPRNFWPPFU-GOSISDBHSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL364797



BindingDB 50430013
Brenda 17873 47700 29290 138819 5888 141394 158429 160553 166411 140962 72348 138826 103427 21194
ChEBI 15799
IBM Patent System 0062B3A0E7510655FA60DB023C3A6CAF
LipidMaps LMGP10050006
Metabolights MTBLC15799
MolPort MolPort-044-183-143
Nikkaji J618.905I
PDBe NKO
PubChem 6419701
PubChem: Thomson Pharma 16883512
SureChEMBL SCHEMBL2935665
ZINC ZINC000008219000

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