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Compound Detail

CHEMBL1182200

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Cc1cc(S(C)(=O)=O)ccc1-c1noc([C@@H](CC2CC2)[C@H](N)C(=O)N2CC[C@H](F)C2)n1

Basic Information

ChEMBL ID CHEMBL1182200
Phase Preclinical
Structure Type MOL
InChI Key CEWVNHNPAHLVTK-WBAXXEDZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

450.5
MW (Da)
2.23
ALogP
7
HBA
1
HBD
119.4
PSA (Ų)
0.69
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H27FN4O4S
MW 450.54
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -1.38

Data from ChEMBL 36 via Core Engine