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Compound Detail

CHEMBL463254

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COc1cc(O)ccc1CCCc1ccc(O)c(CC=C(C)C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL463254
Phase Preclinical
Structure Type MOL
InChI Key TXWULZGRVGVEDI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

326.4
MW (Da)
4.79
ALogP
3
HBA
2
HBD
49.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C21H26O3
MW 326.44
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 1.39

Literature References

PubMed DOI Target Context # Activities
11678652 10.1021/np010288l Aromatase 1

Data from ChEMBL 36 via Core Engine