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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL25856
CHEMBL25856
Compound Name DIHYDREXIDINE
ChEMBL Synonyms Rel-Dihydrexidine | Dihydrexidine Hydrochloride | Dihydrexidine
Max Phase 0
Trade Names
Molecular Formula C17H17NO2

Additional synonyms for CHEMBL25856 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1cc2CC[C@H]3NCc4ccccc4[C@@H]3c2cc1O
Standard InChI InChI=1S/C17H17NO2/c19-15-7-10-5-6-14-17(13(10)8-16(15)20)12 ...
Download InChI
Standard InChI Key BGOQGUHWXBGXJW-RHSMWYFYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL25856

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
267.3 267.1259 2.87 0 52.48 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.05 8.93 2.22 .72 2 20 0.64

Structural Alerts

There are 2 structural alerts for CHEMBL25856. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BGOQGUHWXBGXJW-RHSMWYFYSA-N
PubChem SID: 11111082 SID: 124886952
Wikipedia Dihydrexidine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL25856



BindingDB 50010686
Brenda 23258
ChEBI 124993
IBM Patent System 6034A14B9EF9E930E0F30E315099B359
LINCS LSM-36453
Nikkaji J577.233H
PubChem 6603820
PubChem: Drugs of the Future 57304370
PubChem: Thomson Pharma 14774864 14872544
SureChEMBL SCHEMBL4614575
ZINC ZINC000025758512

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