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Compound Detail

CHEMBL1183764

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CC(=O)OC[n+]1cccc([C@H]2SCc3c(C(=O)c4cn(C(=O)N(C)C)c5cc(-c6ccc(F)cc6)ccc45)ccn32)c1

Basic Information

ChEMBL ID CHEMBL1183764
Phase Preclinical
Structure Type MOL
InChI Key QWJUQXUPQOVZHR-WJOKGBTCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

583.7
MW (Da)
5.61
ALogP
7
HBA
0
HBD
77.4
PSA (Ų)
0.15
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H28FN4O4S+
MW 583.67
Aromatic Rings 5
Heavy Atoms 42
NP-Likeness -0.55

Data from ChEMBL 36 via Core Engine