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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL239619
CHEMBL239619
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H10N4

Additional synonyms for CHEMBL239619 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1ccc2cnc(nc2n1)c3ccc(cc3)C#N
Standard InChI InChI=1S/C15H10N4/c1-10-2-5-13-9-17-14(19-15(13)18-10)12-6-3 ...
Download InChI
Standard InChI Key NTNUGRSOASXIMN-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL239619

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
246.3 246.0905 2.87 1 62.46 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
- 1.94 2.81 2.81 3 19 0.66

Structural Alerts

There are no structural alerts for CHEMBL239619

Compound Cross References

ChemSpider ChemSpider:NTNUGRSOASXIMN-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL239619



BindingDB 50220086
PubChem 44435031
ZINC ZINC000028826508

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