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Compound Detail

CHEMBL5744538

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C=CC(=O)Nc1cccc(S(=O)(=O)c2ccc(N3CC(CN4CCC([C@](C#N)(c5cccc(F)c5)[C@H]5CCC[C@@H]5NC(=O)OC)CC4)C3)cc2)c1

Basic Information

ChEMBL ID CHEMBL5744538
Phase Preclinical
Structure Type MOL
InChI Key NEYHMGVJGXSGLB-VHYZKNOSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

713.9
MW (Da)
5.92
ALogP
8
HBA
2
HBD
131.8
PSA (Ų)
0.23
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C39H44FN5O5S
MW 713.88
Aromatic Rings 3
Heavy Atoms 51
NP-Likeness -1.34

Data from ChEMBL 36 via Core Engine