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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL603334
CHEMBL603334
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H19ClN5O7PS

Additional synonyms for CHEMBL603334 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1ncnc2c1nc(SCc3ccc(Cl)cc3)n2C4O[C@H](COP(=O)(O)O)[C@@H](O) ...
Download SMILES
Standard InChI InChI=1S/C17H19ClN5O7PS/c18-9-3-1-8(2-4-9)6-32-17-22-11-14(1 ...
Download InChI
Standard InChI Key MBIPRSASAQQMHG-AARXTDBFSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL603334

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
503.9 503.0431 1.08 7 186.07 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
11 5 2 12 6 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.86 3.33 -.37 -4.63 3 32 0.23

Structural Alerts

There are 6 structural alerts for CHEMBL603334. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MBIPRSASAQQMHG-AARXTDBFSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL603334



BindingDB 50366993
PubChem 46873844

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