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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL260720
CHEMBL260720
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H16N4

Additional synonyms for CHEMBL260720 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1n[nH]cc1c2cccc3C(CCc23)c4ncc[nH]4
Standard InChI InChI=1S/C16H16N4/c1-10-15(9-19-20-10)12-4-2-3-11-13(12)5-6- ...
Download InChI
Standard InChI Key MACSPWGTMJSVNZ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL260720

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
264.3 264.1375 3.19 2 57.36 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.87 7.46 2.36 1.85 3 20 0.75

Structural Alerts

There are no structural alerts for CHEMBL260720

Compound Cross References

ChemSpider ChemSpider:MACSPWGTMJSVNZ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL260720



BindingDB 50377387
PubChem 44449725

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