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Compound Detail

CHEMBL1179794

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CC(C)c1cc(-c2ccccc2)cc(C(C)C)[n+]1CC(=O)OCCOc1ccc2nc(S(N)(=O)=O)sc2c1

Basic Information

ChEMBL ID CHEMBL1179794
Phase Preclinical
Structure Type MOL
InChI Key GLNSILZLFCRAHR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

554.7
MW (Da)
4.77
ALogP
7
HBA
1
HBD
112.5
PSA (Ų)
0.17
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H32N3O5S2+
MW 554.71
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -1.01

Data from ChEMBL 36 via Core Engine