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Compound Detail

CHEMBL4846008

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O=C1NC(O)C(Br)=CN1COCCO

Basic Information

ChEMBL ID CHEMBL4846008
Phase Preclinical
Structure Type MOL
InChI Key BMFACFGXQYVZEQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
14
Publications
0
Known Names

Molecular Properties

267.1
MW (Da)
-0.47
ALogP
4
HBA
3
HBD
82.0
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H11BrN2O4
MW 267.08
Aromatic Rings 0
Heavy Atoms 14
NP-Likeness 0.42

Literature References

Data from ChEMBL 36 via Core Engine