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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1643883
CHEMBL1643883
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H20N4O

Additional synonyms for CHEMBL1643883 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cn1nc2CN([C@H]3CN4CCC3CC4)C(=O)c5cccc1c25
Standard InChI InChI=1S/C17H20N4O/c1-19-14-4-2-3-12-16(14)13(18-19)9-21(17( ...
Download InChI
Standard InChI Key FDKJLUOOFWBTDY-HNNXBMFYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1643883

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
296.4 296.1637 1.62 1 41.37 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.64 1.22 -.96 2 22 0.8

Structural Alerts

There are no structural alerts for CHEMBL1643883

Compound Cross References

ChemSpider ChemSpider:FDKJLUOOFWBTDY-HNNXBMFYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1643883



PubChem 53317926
SureChEMBL SCHEMBL8049859
ZINC ZINC000066112076

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