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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL274315
CHEMBL274315
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C13H17N3O2

Additional synonyms for CHEMBL274315 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc2OC(CN(C)c2c1)C3=NCCN3
Standard InChI InChI=1S/C13H17N3O2/c1-16-8-12(13-14-5-6-15-13)18-11-4-3-9(1 ...
Download InChI
Standard InChI Key TZTTVGMGHGDZRY-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL274315

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
247.3 247.1321 0.89 2 46.09 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.65 1.77 -.09 1 18 0.84

Structural Alerts

There are no structural alerts for CHEMBL274315

Compound Cross References

ChemSpider ChemSpider:TZTTVGMGHGDZRY-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL274315



BindingDB 50127574
IBM Patent System B17BFE8858F2B9399722B2A621F59939
PubChem 11053968
PubChem: Thomson Pharma 16120529
SureChEMBL SCHEMBL7818092

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