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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL603714
CHEMBL603714
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H17N4O8PS

Additional synonyms for CHEMBL603714 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O[C@@H]1[C@@H](COP(=O)(O)O)OC([C@@H]1O)n2c(Sc3ccccc3)nc4c(O) ...
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Standard InChI InChI=1S/C16H17N4O8PS/c21-11-9(6-27-29(24,25)26)28-15(12(11) ...
Download InChI
Standard InChI Key BUCZHTJKMXKVFU-FJFSNTMWSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL603714

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
456.4 456.0505 1.21 6 215.38 ACID


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
-.29 8.32 -1.89 -6.19 3 30 0.33

Structural Alerts

There are 5 structural alerts for CHEMBL603714. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BUCZHTJKMXKVFU-FJFSNTMWSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL603714



BindingDB 50366999
PubChem 46874977

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