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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2178722
CHEMBL2178722
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C9H20N5O9P

Additional synonyms for CHEMBL2178722 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [NH4+].[NH4+].ONC1=NC(=O)N(C=C1)[C@@H]2O[C@H](COP(=O)([O-])[ ...
Download SMILES
Standard InChI InChI=1S/C9H14N3O9P.2H3N/c13-6-4(3-20-22(17,18)19)21-8(7(6)1 ...
Download InChI
Standard InChI Key AHRZEJCIXABXEB-WFIJOQBCSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2178722

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
339.2 339.0468 -2.46 5 191.18 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
11 6 2 12 6 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.86 3.71 -4.65 -8.95 0 22 0.23

Structural Alerts

There are 9 structural alerts for CHEMBL2178722. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:AHRZEJCIXABXEB-WFIJOQBCSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2178722



PubChem 71457206 71513569
PubChem: Thomson Pharma 163504218

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