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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL65685
CHEMBL65685
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H13N5

Additional synonyms for CHEMBL65685 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1ncnc2c1nc(c3ccccc3)n2c4ccccc4
Standard InChI InChI=1S/C17H13N5/c18-15-14-17(20-11-19-15)22(13-9-5-2-6-10- ...
Download InChI
Standard InChI Key YDBPEYQGFFVIEQ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL65685

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
287.3 287.1171 3.27 2 69.62 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 5 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 3.63 4.28 4.28 4 22 0.61

Structural Alerts

There are 1 structural alerts for CHEMBL65685. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YDBPEYQGFFVIEQ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL65685



Nikkaji J331.983K
PubChem 44306199
ZINC ZINC000026180610

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