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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1096742
CHEMBL1096742
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H36N9O13P3

Additional synonyms for CHEMBL1096742 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES N.N.N.N.O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(=O)(O)OP(=O)(O)OP ...
Download SMILES
Standard InChI InChI=1S/C15H24N5O13P3.4H3N/c21-11-9(5-30-35(26,27)33-36(28, ...
Download InChI
Standard InChI Key HLTBXXMFICXFOB-GLBHFFKESA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1096742

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
575.3 575.0583 -0.57 10 294.57 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
17 7 3 18 7 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
.97 3.61 -1.8 -7.81 2 36 0.17

Structural Alerts

There are 9 structural alerts for CHEMBL1096742. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HLTBXXMFICXFOB-GLBHFFKESA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1096742



PubChem 49797719

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