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Compound Detail

CHEMBL4651067

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CCn1c(=O)/c(=C/C=C2\Sc3ccccc3N2C)s/c1=C\c1sc2cc(OC(F)(F)F)ccc2[n+]1C

Basic Information

ChEMBL ID CHEMBL4651067
Phase Preclinical
Structure Type MOL
InChI Key VQZSSFGQEYAUAG-AEBOSEQSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

548.7
MW (Da)
4.56
ALogP
7
HBA
0
HBD
38.4
PSA (Ų)
0.35
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H21F3N3O2S3+
MW 548.66
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.11

Data from ChEMBL 36 via Core Engine