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Compound Detail

CHEMBL4117201

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COc1cccc2c1CCC([N+](C)(C)C)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4117201
Phase Preclinical
Structure Type MOL
InChI Key SBYHPKJFQKOMSA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

220.3
MW (Da)
2.26
ALogP
1
HBA
0
HBD
9.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H22NO+
MW 220.34
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.30

Data from ChEMBL 36 via Core Engine