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Compound Detail

CHEMBL4595066

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CCCn1c2c([n+](C(C)C)c1C)C(=O)c1ccccc1C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4595066
Phase Preclinical
Structure Type MOL
InChI Key PVKFVSDSDYFRRY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

297.4
MW (Da)
2.85
ALogP
3
HBA
0
HBD
43.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H21N2O2+
MW 297.38
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.18

Data from ChEMBL 36 via Core Engine