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Compound Detail

CHEMBL1196269

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COc1cccc(-c2cncc(C3CC4CCC3N4)c2)c1

Basic Information

ChEMBL ID CHEMBL1196269
Phase Preclinical
Structure Type MOL
InChI Key UDMWAPPGBBMGCP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

280.4
MW (Da)
3.37
ALogP
3
HBA
1
HBD
34.1
PSA (Ų)
0.94
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 C18H20N2O
MW 280.37
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 0.44

Data from ChEMBL 36 via Core Engine