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Compound Detail

CHEMBL4117268

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COc1cccc(C(=O)C[N+](C)(C)C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4117268
Phase Preclinical
Structure Type MOL
InChI Key IUAHVXXUCZRIOQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

208.3
MW (Da)
1.58
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.55
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 C12H18NO2+
MW 208.28
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -0.36

Data from ChEMBL 36 via Core Engine