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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL299161
CHEMBL299161
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C20H23NO2

Additional synonyms for CHEMBL299161 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCN1Cc2ccccc2[C@H]3[C@H]1CCc4cc(O)c(O)cc34
Standard InChI InChI=1S/C20H23NO2/c1-2-9-21-12-14-5-3-4-6-15(14)20-16-11-19 ...
Download InChI
Standard InChI Key VNVHTKVGILYCGH-YLJYHZDGSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL299161

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
309.4 309.1729 3.77 2 43.7 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 3 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.04 7.97 2.36 1.74 2 23 0.83

Structural Alerts

There are 2 structural alerts for CHEMBL299161. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VNVHTKVGILYCGH-YLJYHZDGSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL299161



BindingDB 50010684
Nikkaji J835.193G
PubChem 9904738
PubChem: Thomson Pharma 15370865 14874193
ZINC ZINC000013478187

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