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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3319166
CHEMBL3319166
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H13N7

Additional synonyms for CHEMBL3319166 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1ccc(Cn2cnc3c(ncnc23)n4cncn4)cc1
Standard InChI InChI=1S/C15H13N7/c1-11-2-4-12(5-3-11)6-21-10-19-13-14(21)17 ...
Download InChI
Standard InChI Key TUZKZRCNHWPWNP-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3319166

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
291.3 291.1232 1.76 3 74.31 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
- .86 1.36 1.36 4 22 0.57

Structural Alerts

There are no structural alerts for CHEMBL3319166

Compound Cross References

ChemSpider ChemSpider:TUZKZRCNHWPWNP-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3319166



PubChem 118709423
ZINC ZINC000299834956

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