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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL611006
CHEMBL611006
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H18ClN4O8PS

Additional synonyms for CHEMBL611006 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)n2cnc3c(O)nc(SCc4ccccc4C ...
Download SMILES
Standard InChI InChI=1S/C17H18ClN4O8PS/c18-9-4-2-1-3-8(9)6-32-17-20-14-11(1 ...
Download InChI
Standard InChI Key SAUOHBZKGNDFHP-MSOSYJBYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL611006

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
504.8 504.0271 1.86 7 215.38 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
12 5 2 12 5 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
-.48 4.91 -2.22 -7.46 3 32 0.18

Structural Alerts

There are 5 structural alerts for CHEMBL611006. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SAUOHBZKGNDFHP-MSOSYJBYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL611006



BindingDB 50405126
PubChem 46876517

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