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Compound Detail

CHEMBL4789917

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C=CC(=O)Nc1ccc(C(=O)N2CCCC(Nc3ncc(SCc4cnc(C(F)(F)F)nc4)s3)C2)cc1

Basic Information

ChEMBL ID CHEMBL4789917
Phase Preclinical
Structure Type MOL
InChI Key QNQVGWPXBWZBQX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

548.6
MW (Da)
5.09
ALogP
8
HBA
2
HBD
100.1
PSA (Ų)
0.30
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H23F3N6O2S2
MW 548.62
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness -1.59

Data from ChEMBL 36 via Core Engine