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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL62607
CHEMBL62607
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C13H15N5OS

Additional synonyms for CHEMBL62607 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCc1c(C)n2cc(nc2nc1SC)c3oc(C)nn3
Standard InChI InChI=1S/C13H15N5OS/c1-5-9-7(2)18-6-10(11-17-16-8(3)19-11)14 ...
Download InChI
Standard InChI Key XIQKWAKPXLAUIY-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL62607

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
289.4 289.0997 2.68 3 69.11 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 0 0 6 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- .83 1.91 1.91 3 20 0.55

Structural Alerts

There are no structural alerts for CHEMBL62607

Compound Cross References

ChemSpider ChemSpider:XIQKWAKPXLAUIY-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL62607



IBM Patent System B38D24255C89E837A190C6256773B929
Nikkaji J420.228G
PubChem 13669927
SureChEMBL SCHEMBL10377431
ZINC ZINC000013822407

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