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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL252103
CHEMBL252103
Compound Name (R)-PROPIOMAZINE
ChEMBL Synonyms Propiomazine
Max Phase 0
Trade Names
Molecular Formula C20H24N2OS

Additional synonyms for CHEMBL252103 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCC(=O)c1ccc2Sc3ccccc3N(C[C@@H](C)N(C)C)c2c1
Standard InChI InChI=1S/C20H24N2OS/c1-5-18(23)15-10-11-20-17(12-15)22(13-14 ...
Download InChI
Standard InChI Key UVOIBTBFPOZKGP-CQSZACIVSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL252103

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
340.5 340.1609 4.83 5 23.55 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.92 4.79 3.27 2 24 0.73

Structural Alerts

There are 1 structural alerts for CHEMBL252103. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UVOIBTBFPOZKGP-CQSZACIVSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL252103



IBM Patent System 5F7AD1BC767AD43231F1B4EDDCFA0C20
PubChem 28125497
SureChEMBL SCHEMBL6910697
ZINC ZINC000000896849

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