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Compound Detail

CHEMBL3559066

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C#CCN(C)CC(=C)c1cccc(COc2ccccc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3559066
Phase Preclinical
Structure Type MOL
InChI Key KVUPPSMMDMMNDT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

291.4
MW (Da)
3.84
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21NO
MW 291.39
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.85

Data from ChEMBL 36 via Core Engine