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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-])[ ...
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Standard InChI InChI=1S/C9H14N3O9P.2H3N/c13-6-4(3-20-22(17,18)19)21-8(7(6)1 ...
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Standard InChI Key AHRZEJCIXABXEB-WFIJOQBCSA-N

Structural Alerts

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

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 NEUTRAL


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
13.53 - 2.14 2.14 0 22 0.23

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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