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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL275871
CHEMBL275871
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C9H16N3O6P

Additional synonyms for CHEMBL275871 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(O)C(CP(=O)(O)O)OCN1C=CC(=NC1=O)N
Standard InChI InChI=1S/C9H16N3O6P/c1-6(13)7(4-19(15,16)17)18-5-12-3-2-8(10 ...
Download InChI
Standard InChI Key KEMJYNBKLCTZHG-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL275871

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
293.2 293.0777 -1.27 6 147.9 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 4 0 9 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.97 4.34 -1.39 -5.06 1 19 0.47

Structural Alerts

There are 4 structural alerts for CHEMBL275871. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:KEMJYNBKLCTZHG-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL275871



PubChem 3005524

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