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Compound Detail

CHEMBL2221146

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COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(O)c2O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2221146
Phase Preclinical
Structure Type MOL
InChI Key CQDKZYPQPMHYAR-CYBMUJFWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

361.4
MW (Da)
2.22
ALogP
7
HBA
2
HBD
78.4
PSA (Ų)
0.70
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H23NO6
MW 361.39
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 0.24

Data from ChEMBL 36 via Core Engine