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Compound Detail

CHEMBL1963412

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COc1ccc(OC(F)(F)F)cc1CN[C@H]1CCN(C(C)=O)C[C@H]1c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1963412
Phase Preclinical
Structure Type MOL
InChI Key SSEBEPRONSIAMK-PMACEKPBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

422.4
MW (Da)
4.09
ALogP
4
HBA
1
HBD
50.8
PSA (Ų)
0.76
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H25F3N2O3
MW 422.45
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.77

Data from ChEMBL 36 via Core Engine