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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2431694
CHEMBL2431694
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H14NO5P

Additional synonyms for CHEMBL2431694 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OP(=O)(O)Oc1ccc(CC(=O)Nc2ccccc2)cc1
Standard InChI InChI=1S/C14H14NO5P/c16-14(15-12-4-2-1-3-5-12)10-11-6-8-13(9 ...
Download InChI
Standard InChI Key AQKQSOQOEDWWON-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2431694

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
307.2 307.061 2.34 5 95.86 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 3 0 6 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.25 .44 .74 -3.17 2 21 0.74

Structural Alerts

There are 4 structural alerts for CHEMBL2431694. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:AQKQSOQOEDWWON-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2431694



PubChem 73356959
ZINC ZINC000096932000

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