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Compound Detail

CHEMBL4117535

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Cc1ccc([C@H]2CCN[C@@H]2C(=O)O)cc1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4117535
Phase Preclinical
Structure Type MOL
InChI Key UUDWHLHUMUYWRZ-KOLCDFICSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

249.3
MW (Da)
1.22
ALogP
3
HBA
3
HBD
86.6
PSA (Ų)
0.75
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 C13H15NO4
MW 249.27
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 0.36

Data from ChEMBL 36 via Core Engine