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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1956202
CHEMBL1956202
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C13H16N2O2

Additional synonyms for CHEMBL1956202 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(Oc1ccccc1C(=O)C)C2=NCCN2
Standard InChI InChI=1S/C13H16N2O2/c1-9(16)11-5-3-4-6-12(11)17-10(2)13-14-7 ...
Download InChI
Standard InChI Key LHYRGWVECGKEOM-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1956202

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
232.3 232.1212 1.66 4 50.69 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
- 9.88 1.89 .01 1 17 0.8

Structural Alerts

There are 1 structural alerts for CHEMBL1956202. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LHYRGWVECGKEOM-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1956202



BindingDB 50419888
PubChem 57395731

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