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Compound Detail

CHEMBL4301546

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COC(=O)c1ccc(OCCCCCCCCCCCCC[n+]2cccc3ccccc32)cc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4301546
Phase Preclinical
Structure Type MOL
InChI Key HWVSORGJJALFKO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

480.6
MW (Da)
7.42
ALogP
3
HBA
0
HBD
39.4
PSA (Ų)
0.12
QED
1
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H39FNO3+
MW 480.64
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.54

Data from ChEMBL 36 via Core Engine