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Compound Detail

CHEMBL1179900

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Cc1cc(-c2ccccc2)cc(C)[n+]1CC(=O)Nc1nccc(Nc2ccc(S(N)(=O)=O)cc2)n1

Basic Information

ChEMBL ID CHEMBL1179900
Phase Preclinical
Structure Type MOL
InChI Key AKJMZBZOEQVXLJ-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

489.6
MW (Da)
3.08
ALogP
6
HBA
3
HBD
130.9
PSA (Ų)
0.34
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H25N6O3S+
MW 489.58
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.27

Data from ChEMBL 36 via Core Engine