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Compound Detail

CHEMBL3041174

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C[N+](C)(C)CC#CC(O)(c1ccccc1)C1CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3041174
Phase Preclinical
Structure Type MOL
InChI Key LCLUQLYMCAXABJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

272.4
MW (Da)
2.77
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.66
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H26NO+
MW 272.41
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 0.14

Data from ChEMBL 36 via Core Engine