ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL299210
CHEMBL299210
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C20H16N6O

Additional synonyms for CHEMBL299210 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cn1ccnc1COc2nn3c(nnc3c4ccccc24)c5ccccc5
Standard InChI InChI=1S/C20H16N6O/c1-25-12-11-21-17(25)13-27-20-16-10-6-5-9 ...
Download InChI
Standard InChI Key UWXAQZGCSSYTJL-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL299210

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
356.4 356.1386 3.26 4 70.13 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 0 0 7 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 5.85 3.38 3.37 5 27 0.49

Structural Alerts

There are 1 structural alerts for CHEMBL299210. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UWXAQZGCSSYTJL-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL299210



BindingDB 50143104
PubChem 11394173
PubChem: Thomson Pharma 16488939
ZINC ZINC000013559992

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