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Compound Detail

CHEMBL462853

STEMOFURAN C
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Cc1c(O)cc(-c2cc3ccccc3o2)cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL462853
Name STEMOFURAN C
Phase Preclinical
Structure Type MOL
InChI Key UJNBNDIUQWFUNM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

240.3
MW (Da)
3.82
ALogP
3
HBA
2
HBD
53.6
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H12O3
MW 240.26
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness 0.64

Literature References

PubMed DOI Target Context # Activities
12088422 10.1021/np0105073 Cladosporium herbarum 4
12088422 10.1021/np0105073 Alternaria citri 3
12088422 10.1021/np0105073 Fusarium avenaceum 3
12088422 10.1021/np0105073 Pyricularia grisea 3
12088422 10.1021/np0105073 Botrytis cinerea 3
15679323 10.1021/np0497043 Unchecked 2

Data from ChEMBL 36 via Core Engine