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Compound Detail

CHEMBL1178012

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COc1ccc(CCN2CCCC2)cc1OCCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1178012
Phase Preclinical
Structure Type MOL
InChI Key AFGQADKELTYBPU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

325.4
MW (Da)
3.96
ALogP
3
HBA
0
HBD
21.7
PSA (Ų)
0.73
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 C21H27NO2
MW 325.45
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.58

Data from ChEMBL 36 via Core Engine