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Compound Detail

CHEMBL4651217

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Brc1ccc(OC[C@@H]2C[C@H]3C[C@H]3N2)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4651217
Phase Preclinical
Structure Type MOL
InChI Key PNTLWGGPNDUEGL-OYNCUSHFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

269.1
MW (Da)
1.97
ALogP
3
HBA
1
HBD
34.1
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H13BrN2O
MW 269.14
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness 0.13

Data from ChEMBL 36 via Core Engine