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Compound Detail

CHEMBL4597468

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CCn1c2c([n+](CC)c1C)C(=O)c1ccccc1C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4597468
Phase Preclinical
Structure Type MOL
InChI Key YRKANPHWEQRZLA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

269.3
MW (Da)
1.90
ALogP
3
HBA
0
HBD
43.0
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H17N2O2+
MW 269.32
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.10

Data from ChEMBL 36 via Core Engine