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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1927096
CHEMBL1927096
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C18H22N8

Additional synonyms for CHEMBL1927096 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES N#C\N=C(/NCCCN1CCN(CC1)c2ncccn2)\c3ccccn3
Standard InChI InChI=1S/C18H22N8/c19-15-24-17(16-5-1-2-6-20-16)21-9-4-10-25 ...
Download InChI
Standard InChI Key DLTDRUFHRWCSNO-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1927096

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
350.4 350.1967 0.9 6 93.33 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 1 0 8 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.2 1.15 .97 2 26 0.36

Structural Alerts

There are 7 structural alerts for CHEMBL1927096. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DLTDRUFHRWCSNO-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1927096



BindingDB 50359962
PubChem 56971262
PubChem: Thomson Pharma 135691674
ZINC ZINC000082156560

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