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Compound Detail

CHEMBL81934

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Cc1cc(-c2ccccc2)n[n+](CCCCC(=O)O)c1N

Basic Information

ChEMBL ID CHEMBL81934
Phase Preclinical
Structure Type MOL
InChI Key YVAQXNJTTLRQEI-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

286.4
MW (Da)
2.18
ALogP
3
HBA
2
HBD
80.1
PSA (Ų)
0.63
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 C16H20N3O2+
MW 286.36
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.24

Data from ChEMBL 36 via Core Engine