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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL292708
CHEMBL292708
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C13H15N5O2

Additional synonyms for CHEMBL292708 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCc1c(C)n2cc(nc2nc1OC)c3oc(C)nn3
Standard InChI InChI=1S/C13H15N5O2/c1-5-9-7(2)18-6-10(12-17-16-8(3)20-12)14 ...
Download InChI
Standard InChI Key VBGBHENIABYXAB-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL292708

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
273.3 273.1226 1.97 3 78.34 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
- 1.42 2.22 2.22 3 20 0.73

Structural Alerts

There are no structural alerts for CHEMBL292708

Compound Cross References

ChemSpider ChemSpider:VBGBHENIABYXAB-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL292708



IBM Patent System AA447C37B3F2B63A1AFA821FBCA86695
Nikkaji J408.662G
PubChem 13669921
SureChEMBL SCHEMBL10378681
ZINC ZINC000013822389

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