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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL43360
CHEMBL43360
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H28N6

Additional synonyms for CHEMBL43360 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCc1nc2CCCCCc2n1Cc3ccc(cc3)c4ccccc4c5nn[nH]n5
Standard InChI InChI=1S/C25H28N6/c1-2-8-24-26-22-11-4-3-5-12-23(22)31(24)17 ...
Download InChI
Standard InChI Key GDDMAHZXDOKJMP-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL43360

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
412.5 412.2375 5 6 72.28 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 6 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.24 7.99 5.71 3.38 4 31 0.45

Structural Alerts

There are no structural alerts for CHEMBL43360

Compound Cross References

ChemSpider ChemSpider:GDDMAHZXDOKJMP-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL43360



PubChem 44287089
ZINC ZINC000029341273

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