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Compound Detail

CHEMBL5498566

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O=C(N[C@@H]1CNCC[C@H]1c1ccc(Cl)c(C(F)(F)F)c1)c1cc2c(s1)OCCn1ncc(Br)c1-2

Basic Information

ChEMBL ID CHEMBL5498566
Phase Preclinical
Structure Type MOL
InChI Key XTTYGQDYPAWFLR-YVEFUNNKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

575.8
MW (Da)
5.31
ALogP
6
HBA
2
HBD
68.2
PSA (Ų)
0.44
QED
2
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H19BrClF3N4O2S
MW 575.84
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.02

Data from ChEMBL 36 via Core Engine