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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL156974
CHEMBL156974
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C10H14N2O2

Additional synonyms for CHEMBL156974 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(N)c(c1)C(=O)CCN
Standard InChI InChI=1S/C10H14N2O2/c1-14-7-2-3-9(12)8(6-7)10(13)4-5-11/h2-3 ...
Download InChI
Standard InChI Key DFZXDYZPSYJYBU-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL156974

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
194.2 194.1055 0.81 4 78.34 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.71 .73 -.72 1 14 0.55

Structural Alerts

There are 4 structural alerts for CHEMBL156974. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DFZXDYZPSYJYBU-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL156974



Nikkaji J2.737.231G
PubChem 44372211
ZINC ZINC000027712896

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