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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL22320
CHEMBL22320
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C20H20N8O

Additional synonyms for CHEMBL22320 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NCc1ccc(CCCn2ncc3c2nc(N)n4nc(nc34)c5occc5)cc1
Standard InChI InChI=1S/C20H20N8O/c21-11-14-7-5-13(6-8-14)3-1-9-27-18-15(12 ...
Download InChI
Standard InChI Key SEYAPVQCSVXUEY-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL22320

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
388.4 388.176 2.41 6 126.08 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 2 0 9 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.16 3.24 1.49 5 29 0.46

Structural Alerts

There are 1 structural alerts for CHEMBL22320. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SEYAPVQCSVXUEY-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL22320



BindingDB 50108020
Nikkaji J1.682.343K
PubChem 10249674
PubChem: Thomson Pharma 15252909
ZINC ZINC000013471740

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