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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL91283
CHEMBL91283
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C38H66N2O7P2

Additional synonyms for CHEMBL91283 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCc1ccc(CCC(N)\C=C\P(=O)(O)O)cc1.CCCCCCCCc2ccc(CCC(N)C ...
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Standard InChI InChI=1S/C19H34NO4P.C19H32NO3P/c1-2-3-4-5-6-7-8-16-9-11-17(1 ...
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Standard InChI Key CPLKYWSCGUMTQY-ZICVVLIHSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL91283

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
724.9 724.4345 - - - -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
- - - - - -


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - - - - - -0

Structural Alerts

There are no structural alerts for CHEMBL91283

Compound Cross References

ChemSpider ChemSpider:CPLKYWSCGUMTQY-ZICVVLIHSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL91283



PubChem 44341399

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