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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL611910
CHEMBL611910
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C20H33N4O8P

Additional synonyms for CHEMBL611910 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCCCc1nc(O)c2ncn(C3O[C@@H](COP(=O)(O)O)[C@H](O)[C@@H]3 ...
Download SMILES
Standard InChI InChI=1S/C20H33N4O8P/c1-2-3-4-5-6-7-8-9-10-14-22-18-15(19(27 ...
Download InChI
Standard InChI Key SZFMTNIJNXWXIP-GSVKDTAISA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL611910

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
488.5 488.2036 1.94 13 180.28 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
10 5 0 12 5 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.86 9.62 .78 -3.49 2 33 0.21

Structural Alerts

There are 14 structural alerts for CHEMBL611910. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SZFMTNIJNXWXIP-GSVKDTAISA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL611910



BindingDB 50405113
PubChem 46876438

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