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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL79960
CHEMBL79960
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C9H10N6O2

Additional synonyms for CHEMBL79960 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC1=C2N(Cc3nn[nH]n3)CCCN=C2C1=O
Standard InChI InChI=1S/C9H10N6O2/c16-8-6-7(9(8)17)15(3-1-2-10-6)4-5-11-13- ...
Download InChI
Standard InChI Key VIMOWNBNQKKYKN-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL79960

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
234.2 234.0865 -0.8 2 107.36 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 2 0 8 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.19 .82 -.96 -2.81 1 17 0.69

Structural Alerts

There are 3 structural alerts for CHEMBL79960. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VIMOWNBNQKKYKN-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL79960



ZINC ZINC000100801293

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