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Compound Detail

CHEMBL4595565

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CCCCCCc1ccc(S(=O)(=O)[C@@H]2[C@H](NCc3cccc(Br)c3)[C@@H]3CC[C@H]2N3)cc1

Basic Information

ChEMBL ID CHEMBL4595565
Phase Preclinical
Structure Type MOL
InChI Key SVHZZNJAPQRERT-LIONHTAISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

505.5
MW (Da)
5.01
ALogP
4
HBA
2
HBD
58.2
PSA (Ų)
0.45
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H33BrN2O2S
MW 505.52
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.26

Data from ChEMBL 36 via Core Engine