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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL566189
CHEMBL566189
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H13N5O2

Additional synonyms for CHEMBL566189 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOC(=O)c1ncn2c1Cn3ncnc3c4ccccc24
Standard InChI InChI=1S/C15H13N5O2/c1-2-22-15(21)13-12-7-20-14(16-8-18-20)1 ...
Download InChI
Standard InChI Key WSSWOLULTYVMTE-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL566189

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
295.3 295.1069 1.67 2 74.83 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 1.71 2.94 2.94 3 22 0.53

Structural Alerts

There are 1 structural alerts for CHEMBL566189. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WSSWOLULTYVMTE-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL566189



BindingDB 50378529
IBM Patent System 433E1B71516C300D8D9761ACBD62BCBC
PubChem 20094011
SureChEMBL SCHEMBL9267283
ZINC ZINC000045244860

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