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Compound Detail

CHEMBL3307088

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c1ccc(CC[n+]2cccc3c4ccccc4ccc32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3307088
Phase Preclinical
Structure Type MOL
InChI Key TWQUTVCWRUVWTN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

284.4
MW (Da)
4.52
ALogP
0
HBA
0
HBD
3.9
PSA (Ų)
0.38
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18N+
MW 284.38
Aromatic Rings 4
Heavy Atoms 22
NP-Likeness -0.09

Data from ChEMBL 36 via Core Engine