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Compound Detail

CHEMBL1179817

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Cc1cc(C)[n+](CC(=O)Nc2ccc(S(=O)(=O)/N=c3/sc(S(N)(=O)=O)nn3C)cc2)c(C)c1

Basic Information

ChEMBL ID CHEMBL1179817
Phase Preclinical
Structure Type MOL
InChI Key HLGJNWQZUVQMMX-PTGBLXJZSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

511.6
MW (Da)
0.27
ALogP
8
HBA
2
HBD
157.5
PSA (Ų)
0.45
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H23N6O5S3+
MW 511.63
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.57

Data from ChEMBL 36 via Core Engine