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Compound Detail

CHEMBL1186673

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NC[C@H]1C[C@@H]1c1ccccc1C#CCCCCO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1186673
Phase Preclinical
Structure Type MOL
InChI Key HIXGWBZDILGYRT-ZBFHGGJFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

243.3
MW (Da)
2.26
ALogP
2
HBA
2
HBD
46.2
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H21NO
MW 243.35
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 0.73

Data from ChEMBL 36 via Core Engine