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Compound Detail

CHEMBL3559112

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C#CCN(C)C/C(=C/F)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3559112
Phase Preclinical
Structure Type MOL
InChI Key WSJKSTXYBYLZAD-RAXLEYEMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

203.3
MW (Da)
2.56
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H14FN
MW 203.26
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -0.99

Data from ChEMBL 36 via Core Engine