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Compound Detail

CHEMBL1197050

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COc1ccc2c(CCCN3CCC(C)CC3)cccc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1197050
Phase Preclinical
Structure Type MOL
InChI Key CNQCQSTYGIBMDY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

297.4
MW (Da)
4.51
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H27NO
MW 297.44
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.77

Data from ChEMBL 36 via Core Engine