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Compound Detail

CHEMBL5095945

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CNCc1cc(F)c(C(=O)c2sc(N[C@H]3CC[C@H](NS(=O)(=O)CC(C)C)CC3)nc2N)c(F)c1

Basic Information

ChEMBL ID CHEMBL5095945
Phase Preclinical
Structure Type MOL
InChI Key AOGJBDHUQLVEOV-SHTZXODSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

515.6
MW (Da)
3.25
ALogP
8
HBA
4
HBD
126.2
PSA (Ų)
0.36
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H31F2N5O3S2
MW 515.65
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -1.21

Data from ChEMBL 36 via Core Engine