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Compound Detail

CHEMBL4116446

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COc1ccc(F)cc1C1CC1CNCc1cccc2cccnc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4116446
Phase Preclinical
Structure Type MOL
InChI Key BAARVIDDZAGAQJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

336.4
MW (Da)
4.28
ALogP
3
HBA
1
HBD
34.1
PSA (Ų)
0.73
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 C21H21FN2O
MW 336.41
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.69

Data from ChEMBL 36 via Core Engine