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Compound Detail

CHEMBL4595309

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Cn1ncc(Cl)c1-c1csc(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(Cl)c(C(F)(F)F)c2)c1

Basic Information

ChEMBL ID CHEMBL4595309
Phase Preclinical
Structure Type MOL
InChI Key RDRYIPPWARVLCG-SUMWQHHRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

503.4
MW (Da)
5.35
ALogP
5
HBA
2
HBD
59.0
PSA (Ų)
0.51
QED
2
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19Cl2F3N4OS
MW 503.38
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.19

Data from ChEMBL 36 via Core Engine