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Compound Detail

CHEMBL4300550

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CCCCCCCCc1ccc(CC[C@@H]2CCCN2)cc1

Basic Information

ChEMBL ID CHEMBL4300550
Phase Preclinical
Structure Type MOL
InChI Key IIMOBWJLANXCTC-FQEVSTJZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

287.5
MW (Da)
5.27
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.58
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H33N
MW 287.49
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 0.50

Data from ChEMBL 36 via Core Engine