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Compound Detail

CHEMBL581562

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Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](CSc3ccc(Br)cc3)O2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL581562
Phase Preclinical
Structure Type MOL
InChI Key FIBVJAHFMJFMLB-RBBKRZOGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

493.9
MW (Da)
5.84
ALogP
5
HBA
0
HBD
36.3
PSA (Ų)
0.37
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22BrClN2O2S
MW 493.85
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.73

Data from ChEMBL 36 via Core Engine