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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL309601
CHEMBL309601
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H23N2O5P

Additional synonyms for CHEMBL309601 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@H](NP(=O)(O)CCc1ccccc1)C(=O)N2CCC[C@H]2C(=O)O
Standard InChI InChI=1S/C16H23N2O5P/c1-12(15(19)18-10-5-8-14(18)16(20)21)17 ...
Download InChI
Standard InChI Key VUEMZVPEAVUVHY-JSGCOSHPSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL309601

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
354.3 354.1345 1.47 7 106.94 ACID


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
.12 5.5 1.5 -3.23 1 24 0.64

Structural Alerts

There are 2 structural alerts for CHEMBL309601. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VUEMZVPEAVUVHY-JSGCOSHPSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL309601



BindingDB 50367249
PubChem 14212864
SureChEMBL SCHEMBL11032956

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