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Compound Detail

CHEMBL1200257

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N=C(NCCC[C@@H](N)C(=O)N1C[C@H](NC(=O)C(F)(F)F)C[C@@H]1C(N)=O)N[N+](=O)[O-]

Basic Information

ChEMBL ID CHEMBL1200257
Phase Preclinical
Structure Type MOL
InChI Key JWXBKXQVYNNJSR-BWZBUEFSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

426.4
MW (Da)
-2.47
ALogP
7
HBA
6
HBD
209.6
PSA (Ų)
0.08
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H21F3N8O5
MW 426.36
Aromatic Rings 0
Heavy Atoms 29
NP-Likeness -0.29

Data from ChEMBL 36 via Core Engine