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Compound Detail

CHEMBL3559115

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C#CCN(C)CC(=C)c1ccco1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3559115
Phase Preclinical
Structure Type MOL
InChI Key GJVKGKSWYLQQHZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

175.2
MW (Da)
1.86
ALogP
2
HBA
0
HBD
16.4
PSA (Ų)
0.65
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 C11H13NO
MW 175.23
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -1.09

Data from ChEMBL 36 via Core Engine