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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1255909
CHEMBL1255909
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H19N3O

Additional synonyms for CHEMBL1255909 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C(N[C@H]1CN2CCC1CC2)Nc3ccccc3
Standard InChI InChI=1S/C14H19N3O/c18-14(15-12-4-2-1-3-5-12)16-13-10-17-8-6 ...
Download InChI
Standard InChI Key UKUMWXFJVPUQDS-ZDUSSCGKSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1255909

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
245.3 245.1528 1.9 2 44.37 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 12.2 2.65 .38 1 18 0.84

Structural Alerts

There are no structural alerts for CHEMBL1255909

Compound Cross References

ChemSpider ChemSpider:UKUMWXFJVPUQDS-ZDUSSCGKSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1255909



BindingDB 50417095
PubChem 49780185
PubChem: Thomson Pharma 103052674
ZINC ZINC000064539676

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