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Compound Detail

CHEMBL1177916

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C[C@@H](N)Cc1c2ccoc2c(Br)c2ccoc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1177916
Phase Preclinical
Structure Type MOL
InChI Key GIKPTWKWYXCBEC-SSDOTTSWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

294.1
MW (Da)
3.83
ALogP
3
HBA
1
HBD
52.3
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H12BrNO2
MW 294.15
Aromatic Rings 3
Heavy Atoms 17
NP-Likeness 0.68

Data from ChEMBL 36 via Core Engine