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Compound Detail

CHEMBL1454840

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COc1ccc(-c2cn3cc(C)ccc3n2)cc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1454840
Phase Preclinical
Structure Type MOL
InChI Key BKKCRNAPVHDICT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

256.3
MW (Da)
3.46
ALogP
3
HBA
0
HBD
26.5
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H13FN2O
MW 256.28
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -2.23

Data from ChEMBL 36 via Core Engine