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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL369573
CHEMBL369573
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H11N3O

Additional synonyms for CHEMBL369573 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1nc(c2ccccc2)c3C(=O)c4ccccc4c3n1
Standard InChI InChI=1S/C17H11N3O/c18-17-19-14(10-6-2-1-3-7-10)13-15(20-17) ...
Download InChI
Standard InChI Key UVUYDEPVVFJIAY-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL369573

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
273.3 273.0902 2.94 1 68.87 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- .93 3.08 3.08 3 21 0.58

Structural Alerts

There are 2 structural alerts for CHEMBL369573. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UVUYDEPVVFJIAY-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL369573



BindingDB 50161342
EPA CompTox Dashboard DTXSID70434616
IBM Patent System E3A7080A8F88713B1B89AAB108E97BAD
PubChem 10038941
PubChem: Thomson Pharma 15021586
SureChEMBL SCHEMBL1378743

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