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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL592009
CHEMBL592009
Compound Name
ChEMBL Synonyms 6-Acetylmorphine
Max Phase 0
Trade Names
Molecular Formula C19H21NO4

Additional synonyms for CHEMBL592009 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1CC[C@]23[C@H]4Oc5c(O)ccc(C[C@@H]1[C@@H]2C=C[C@@H]4OC(=O)C ...
Download SMILES
Standard InChI InChI=1S/C19H21NO4/c1-10(21)23-15-6-4-12-13-9-11-3-5-14(22)1 ...
Download InChI
Standard InChI Key JJGYGPZNTOPXGV-SSTWWWIQSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL592009

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
327.4 327.1471 1.79 2 59 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.41 8.03 1.56 .94 1 24 0.66

Structural Alerts

There are 2 structural alerts for CHEMBL592009. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JJGYGPZNTOPXGV-SSTWWWIQSA-N
Wikipedia 6-Monoacetylmorphine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL592009



ACToR 2784-73-8
BindingDB 224020
ChEBI 2168
eMolecules 10144098
EPA CompTox Dashboard DTXSID60182154
FDA SRS M5E47P1ZCH
IBM Patent System 61FFBC79EC0420E5EEDF44F00BFDFAC9
KEGG Ligand C11781
Metabolights MTBLC2168
Nikkaji J330.682H
PubChem 5462507
PubChem: Thomson Pharma 15049956
SureChEMBL SCHEMBL7940016
ZINC ZINC000004102204

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