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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL432067
CHEMBL432067
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C18H32NO4P

Additional synonyms for CHEMBL432067 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCc1ccc(CCC(N)COP(=O)(O)O)cc1
Standard InChI InChI=1S/C18H32NO4P/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)13- ...
Download InChI
Standard InChI Key JBPVYJJIRRUCJU-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL432067

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
357.4 357.2069 3.96 13 92.78 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 3 0 5 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.78 10.81 3.06 -.32 1 24 0.37

Structural Alerts

There are 11 structural alerts for CHEMBL432067. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JBPVYJJIRRUCJU-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL432067



BindingDB 50147714
IBM Patent System 4272618689DCF7E9B969DAA2F9404F62
PubChem 10150171
PubChem: Thomson Pharma 15142284
SureChEMBL SCHEMBL14338629

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