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Compound Detail

CHEMBL82982

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Cc1ccn[n+](CCCC(=O)O)c1N

Basic Information

ChEMBL ID CHEMBL82982
Phase Preclinical
Structure Type MOL
InChI Key BUIYMRMRGSTZJC-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

196.2
MW (Da)
0.12
ALogP
3
HBA
2
HBD
80.1
PSA (Ų)
0.67
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 C9H14N3O2+
MW 196.23
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness 0.21

Data from ChEMBL 36 via Core Engine