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Compound Detail

CHEMBL3302805

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COc1ccc(C)cc1C(O)CNC(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3302805
Phase Preclinical
Structure Type MOL
InChI Key XAIWQBURELTNHB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

223.3
MW (Da)
2.04
ALogP
3
HBA
2
HBD
41.5
PSA (Ų)
0.80
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 C13H21NO2
MW 223.32
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -0.50

Data from ChEMBL 36 via Core Engine