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Compound Detail

CHEMBL1195131

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O[C@@H]1CCN2CCCC[C@@H]2[C@H]1c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1195131
Phase Preclinical
Structure Type MOL
InChI Key VYNNWWZBPKXCNX-RBSFLKMASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

231.3
MW (Da)
2.39
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H21NO
MW 231.34
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness 0.70

Data from ChEMBL 36 via Core Engine