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Compound Detail

CHEMBL2110006

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CCOC(=O)[C@@H](c1ccccc1)[C@@H]1CCCCN1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2110006
Phase Preclinical
Structure Type MOL
InChI Key AIVSIRYZIBXTMM-KBPBESRZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

247.3
MW (Da)
2.48
ALogP
3
HBA
1
HBD
38.3
PSA (Ų)
0.83
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 C15H21NO2
MW 247.34
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 0.02

Data from ChEMBL 36 via Core Engine