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Compound Detail

CHEMBL1852481

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Oc1cc2c(cc1O)[C@@H]1c3ccccc3CC[C@@H]1NCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1852481
Phase Preclinical
Structure Type MOL
InChI Key NAEDEEABHJUYHB-YJBOKZPZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

281.4
MW (Da)
2.69
ALogP
3
HBA
3
HBD
52.5
PSA (Ų)
0.65
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19NO2
MW 281.36
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 0.98

Data from ChEMBL 36 via Core Engine