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Compound Detail

CHEMBL4594842

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CN(C)S(=O)(=O)c1ccc(-c2ccn(C/C(F)=C/CN)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4594842
Phase Preclinical
Structure Type MOL
InChI Key OABHTVMEUYDYPW-CHHVJCJISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

337.4
MW (Da)
2.22
ALogP
4
HBA
1
HBD
68.3
PSA (Ų)
0.88
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H20FN3O2S
MW 337.42
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.24

Data from ChEMBL 36 via Core Engine