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Compound Detail

CHEMBL3302312

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CN(C)CC(O)C(c1ccccc1)c1cccc(C(F)(F)F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3302312
Phase Preclinical
Structure Type MOL
InChI Key HNERCTRCXWDGHU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

323.4
MW (Da)
3.76
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.91
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20F3NO
MW 323.36
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.63

Data from ChEMBL 36 via Core Engine