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Compound Detail

CHEMBL1179882

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Cc1cc(-c2ccccc2)cc(C)[n+]1CC(=O)Nc1ccc(S(N)(=O)=O)cc1Br
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1179882
Phase Preclinical
Structure Type MOL
InChI Key CRSFUODGLVACMP-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

475.4
MW (Da)
3.31
ALogP
3
HBA
2
HBD
93.1
PSA (Ų)
0.55
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 C21H21BrN3O3S+
MW 475.39
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.32

Data from ChEMBL 36 via Core Engine