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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2109964
CHEMBL2109964
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C13H19N3

Additional synonyms for CHEMBL2109964 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1nc(C)c(nc1C)[C@@H]2CN3CCC2C3
Standard InChI InChI=1S/C13H19N3/c1-8-9(2)15-13(10(3)14-8)12-7-16-5-4-11(12 ...
Download InChI
Standard InChI Key XMIUIQVXHRVICM-PIJUOVFKSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2109964

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
217.3 217.1579 1.82 1 29.02 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 0 0 3 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.37 1.06 -.75 1 16 0.72

Structural Alerts

There are no structural alerts for CHEMBL2109964

Compound Cross References

ChemSpider ChemSpider:XMIUIQVXHRVICM-PIJUOVFKSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2109964



PubChem 70687133

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