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Compound Detail

CHEMBL4596623

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CN(C)S(=O)(=O)c1ccc(Cc2cn(C/C(F)=C/CN)nn2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4596623
Phase Preclinical
Structure Type MOL
InChI Key VHKFTSMXDWZTEO-QPEQYQDCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

353.4
MW (Da)
0.93
ALogP
6
HBA
1
HBD
94.1
PSA (Ų)
0.80
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H20FN5O2S
MW 353.42
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.66

Data from ChEMBL 36 via Core Engine