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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL19173
CHEMBL19173
Compound Name PROXYFAN
ChEMBL Synonyms proxyfan | proxifan
Max Phase 0
Trade Names
Molecular Formula C13H16N2O

Additional synonyms for CHEMBL19173 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C(COCc1ccccc1)Cc2c[nH]cn2
Standard InChI InChI=1S/C13H16N2O/c1-2-5-12(6-3-1)10-16-8-4-7-13-9-14-11-15 ...
Download InChI
Standard InChI Key WNWALBVQAAIULR-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL19173

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
216.3 216.1263 1.89 6 37.9 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.4 2.22 1.74 2 16 0.75

Structural Alerts

There are 1 structural alerts for CHEMBL19173. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WNWALBVQAAIULR-UHFFFAOYSA-N
PubChem SID: 29215555
Wikipedia Proxyfan

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL19173



BindingDB 22915
ChEBI 93359
Guide to Pharmacology 1255
IBM Patent System 8E33112C79B1C6B180F2C327F1C0C692
LINCS LSM-3732
Nikkaji J780.385K
PubChem 6421522
PubChem: Thomson Pharma 15018514
SureChEMBL SCHEMBL15929504 SCHEMBL4072620
ZINC ZINC000013813304

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