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Compound Detail

CHEMBL1182730

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C[C@H](N)Cc1c2c(c(Br)c3c1OCC3)OCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1182730
Phase Preclinical
Structure Type MOL
InChI Key FKRREVSELFOLDT-ZETCQYMHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

298.2
MW (Da)
2.21
ALogP
3
HBA
1
HBD
44.5
PSA (Ų)
0.91
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C13H16BrNO2
MW 298.18
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness 0.52

Data from ChEMBL 36 via Core Engine