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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL14208
CHEMBL14208
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H20N2O2

Additional synonyms for CHEMBL14208 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)Oc1ccccc1OC(C)C2=NCCN2
Standard InChI InChI=1S/C14H20N2O2/c1-10(2)17-12-6-4-5-7-13(12)18-11(3)14-1 ...
Download InChI
Standard InChI Key YQBKUZKHVPTFOO-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL14208

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
248.3 248.1525 2.24 5 42.85 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.95 2.48 .58 1 18 0.87

Structural Alerts

There are no structural alerts for CHEMBL14208

Compound Cross References

ChemSpider ChemSpider:YQBKUZKHVPTFOO-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL14208



BindingDB 50419887
PubChem 44269140

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