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Compound Detail

CHEMBL1198499

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CNC[C@@H](O)[C@H](c1cccc(F)c1)N1CC(C(C)C)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1198499
Phase Preclinical
Structure Type MOL
InChI Key BFQOTQMSOCASOW-HBYOEVMUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

342.5
MW (Da)
3.71
ALogP
3
HBA
2
HBD
35.5
PSA (Ų)
0.84
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 C21H27FN2O
MW 342.46
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.09

Data from ChEMBL 36 via Core Engine