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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

Structural Alerts

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

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

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

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