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Compound Detail

CHEMBL3559214

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COc1cccc2cc(-c3cc[n+](Cc4ccccc4)cc3)oc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3559214
Phase Preclinical
Structure Type MOL
InChI Key VWKVMTPXRWUHLX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

316.4
MW (Da)
4.44
ALogP
2
HBA
0
HBD
26.2
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18NO2+
MW 316.38
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -0.05

Data from ChEMBL 36 via Core Engine