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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL190328
CHEMBL190328
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H38NO7P

Additional synonyms for CHEMBL190328 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)O)C(=O)O
Standard InChI InChI=1S/C19H38NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18( ...
Download InChI
Standard InChI Key HSMUPNYJCMYKJH-KRWDZBQOSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL190328

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
423.5 423.2386 4.15 19 133.16 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 4 0 8 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.79 - 2.85 -2.65 0 28 0.18

Structural Alerts

There are 15 structural alerts for CHEMBL190328. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HSMUPNYJCMYKJH-KRWDZBQOSA-N
PubChem SID: 26755004 SID: 26755005 SID: 29216378

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL190328



BindingDB 50170848
eMolecules 1934567
EPA CompTox Dashboard DTXSID70425009
IBM Patent System FA0026EFD681358700528A6F37350E82
Nikkaji J719.769A
PubChem 6610239
PubChem: Thomson Pharma 15378451
SureChEMBL SCHEMBL2116942
ZINC ZINC000008860531

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