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Compound Detail

CHEMBL3559196

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O=[N+]([O-])c1ccccc1C[n+]1ccc(-c2cc3ccccc3o2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3559196
Phase Preclinical
Structure Type MOL
InChI Key UTKUZBTZWUTFSL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

331.4
MW (Da)
4.34
ALogP
3
HBA
0
HBD
60.2
PSA (Ų)
0.32
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H15N2O3+
MW 331.35
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -0.53

Data from ChEMBL 36 via Core Engine