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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL324735
CHEMBL324735
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C18H14N8O2

Additional synonyms for CHEMBL324735 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cn1cc2c(nc(NC(=O)Nc3ccccc3)n4nc(nc24)c5occc5)n1
Standard InChI InChI=1S/C18H14N8O2/c1-25-10-12-14(23-25)21-17(22-18(27)19-1 ...
Download InChI
Standard InChI Key OPNAVJJOJBREBM-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL324735

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
374.4 374.124 2.92 3 115.17 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 2 0 10 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.05 1.54 3.58 1.6 5 28 0.5

Structural Alerts

There are no structural alerts for CHEMBL324735

Compound Cross References

ChemSpider ChemSpider:OPNAVJJOJBREBM-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL324735



BindingDB 50109461
Nikkaji J1.705.886J
PubChem 9929470
PubChem: Thomson Pharma 14902106
ZINC ZINC000013472320

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