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Compound Detail

CHEMBL3979916

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COc1cc(/C=N/Cc2ccco2)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3979916
Phase Preclinical
Structure Type MOL
InChI Key HGRSNSKJFXSUTL-RIYZIHGNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

231.2
MW (Da)
2.61
ALogP
4
HBA
1
HBD
55.0
PSA (Ų)
0.82
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H13NO3
MW 231.25
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.36

Data from ChEMBL 36 via Core Engine