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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL567897
CHEMBL567897
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C21H24N6

Additional synonyms for CHEMBL567897 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCc1nc2c(C)cccc2n1Cc3ccc(CCc4nnn[nH]4)cc3
Standard InChI InChI=1S/C21H24N6/c1-3-5-20-22-21-15(2)6-4-7-18(21)27(20)14- ...
Download InChI
Standard InChI Key WNJDMVOAVMFECT-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL567897

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
360.5 360.2062 3.64 7 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
4.95 5.65 4.43 2.56 4 27 0.55

Structural Alerts

There are no structural alerts for CHEMBL567897

Compound Cross References

ChemSpider ChemSpider:WNJDMVOAVMFECT-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL567897



BindingDB 50303978
PubChem 45488125
PubChem: Thomson Pharma 96033206
ZINC ZINC000045255267

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