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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL442269
CHEMBL442269
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H14N4

Additional synonyms for CHEMBL442269 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)c1ccc(cc1)c2cn3cc(ccc3n2)C#N
Standard InChI InChI=1S/C16H14N4/c1-19(2)14-6-4-13(5-7-14)15-11-20-10-12(9- ...
Download InChI
Standard InChI Key GPYAOHJLNUUYCY-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL442269

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
262.3 262.1218 2.94 2 44.33 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 0 0 4 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 5.35 2.85 2.84 3 20 0.71

Structural Alerts

There are no structural alerts for CHEMBL442269

Compound Cross References

ChemSpider ChemSpider:GPYAOHJLNUUYCY-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL442269



PubChem 17759204
PubChem: Thomson Pharma 29220193
ZINC ZINC000028710729

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