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Compound Detail

CHEMBL1188071

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CN(C(=O)COc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@@H]1CCCC[C@H]1N1CCCC1

Basic Information

ChEMBL ID CHEMBL1188071
Phase Preclinical
Structure Type MOL
InChI Key QHFMXDHHBZOTRU-QZTJIDSGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

429.4
MW (Da)
3.86
ALogP
5
HBA
0
HBD
75.9
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H26F3N3O4
MW 429.44
Aromatic Rings 1
Heavy Atoms 30
NP-Likeness -1.00

Data from ChEMBL 36 via Core Engine