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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL245807
CHEMBL245807
Compound Name OXYPHENISATINE
ChEMBL Synonyms Oxyphenisatin | Oxyphenisatine
Max Phase 0
Trade Names
Molecular Formula C20H15NO3

Additional synonyms for CHEMBL245807 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1ccc(cc1)C2(C(=O)Nc3ccccc23)c4ccc(O)cc4
Standard InChI InChI=1S/C20H15NO3/c22-15-9-5-13(6-10-15)20(14-7-11-16(23)12 ...
Download InChI
Standard InChI Key SJDACOMXKWHBOW-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL245807

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
317.3 317.1052 3.28 2 69.56 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 3 0 4 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.42 .15 1.4 1.39 3 24 0.68

Structural Alerts

There are 2 structural alerts for CHEMBL245807. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SJDACOMXKWHBOW-UHFFFAOYSA-N
PubChem SID: 144212248 SID: 170466393
Wikipedia Oxyphenisatine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL245807



ACToR 125-13-3
ChEBI 135358
DrugBank DB04823
DrugCentral 2038
eMolecules 4352042
EPA CompTox Dashboard DTXSID5044528
FDA SRS 3BT0VQG2GQ
IBM Patent System 1E3928536E0FFE4AAC39A09D177216CE
Mcule MCULE-1522212653
Nikkaji J10.053F
PubChem 31315
PubChem: Thomson Pharma 15049271
SureChEMBL SCHEMBL239513
ZINC ZINC000004217234

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