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Compound Detail

CHEMBL1196979

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C[N+]1(C)CCN(/[N+]([O-])=N/Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1

Basic Information

ChEMBL ID CHEMBL1196979
Phase Preclinical
Structure Type MOL
InChI Key XVPLIXKRBBGROX-LGMDPLHJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

341.3
MW (Da)
1.07
ALogP
7
HBA
0
HBD
137.2
PSA (Ų)
0.26
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H17N6O6+
MW 341.30
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.55

Data from ChEMBL 36 via Core Engine