ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL53510
CHEMBL53510
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C18H19NO

Additional synonyms for CHEMBL53510 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1CCc2cccc3c2[C@H]1Cc4ccc(C)c(O)c34
Standard InChI InChI=1S/C18H19NO/c1-11-6-7-13-10-15-16-12(8-9-19(15)2)4-3-5 ...
Download InChI
Standard InChI Key YGOZTDLAUVOPMF-OAHLLOKOSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL53510

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
265.4 265.1467 3.45 0 23.47 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 2 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.94 8.01 2.82 2.16 2 20 0.79

Structural Alerts

There are no structural alerts for CHEMBL53510

Compound Cross References

ChemSpider ChemSpider:YGOZTDLAUVOPMF-OAHLLOKOSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL53510



ACToR 111635-19-9
BindingDB 50036286
EPA CompTox Dashboard DTXSID90149699
IBM Patent System C00ADA47957B4EC102E128E173A0B37C
Nikkaji J356.049J
PubChem 3082625
PubChem: Thomson Pharma 15466406
SureChEMBL SCHEMBL1349467
ZINC ZINC000000006368

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