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Compound Detail

CHEMBL1194105

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NCC1(CC(=O)O)Cc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1194105
Phase Preclinical
Structure Type MOL
InChI Key FLLMRYXIKPKTRZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

191.2
MW (Da)
0.91
ALogP
2
HBA
2
HBD
63.3
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 C11H13NO2
MW 191.23
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness 0.78

Data from ChEMBL 36 via Core Engine