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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL374854
CHEMBL374854
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H14N6

Additional synonyms for CHEMBL374854 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C(Nc1ccnc(n1)n2cnc3ccncc23)c4ccccc4
Standard InChI InChI=1S/C17H14N6/c1-2-4-13(5-3-1)10-20-16-7-9-19-17(22-16)2 ...
Download InChI
Standard InChI Key HLJFSZSPYMQRSO-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL374854

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
302.3 302.128 2.82 4 68.52 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 1 0 6 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 4.17 1.28 1.28 4 23 0.63

Structural Alerts

There are no structural alerts for CHEMBL374854

Compound Cross References

ChemSpider ChemSpider:HLJFSZSPYMQRSO-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL374854



BindingDB 50193998
PubChem 44419515
ZINC ZINC000040753808

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