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Compound Detail

CHEMBL3140114

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Cc1cc(C(O)(C[C@H]2C[C@H]3CC[C@@H](C2)[N+]3(C)C)c2csc(C)c2)cs1

Basic Information

ChEMBL ID CHEMBL3140114
Phase Preclinical
Structure Type MOL
InChI Key HUZZFQHMHDDOBG-PDFPEKILSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

376.6
MW (Da)
5.07
ALogP
3
HBA
1
HBD
20.2
PSA (Ų)
0.74
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H30NOS2+
MW 376.61
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 0.08

Data from ChEMBL 36 via Core Engine