ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

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

Structural Alerts

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

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

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
DrugBank DB04823
DSSTox DTXSID5044528
eMolecules 4352042
FDA SRS 3BT0VQG2GQ
IBM Patent System 1E3928536E0FFE4AAC39A09D177216CE
Mcule MCULE-1522212653
Nikkaji J10.053F
PubChem 31315
PubChem: Thomson Pharma 15049271
SureChEMBL SCHEMBL239513
ZINC ZINC04217234

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