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Compound Detail

CHEMBL1178007

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Clc1ccc(OCCc2ccccc2)c(CCN2CCCC2)c1

Basic Information

ChEMBL ID CHEMBL1178007
Phase Preclinical
Structure Type MOL
InChI Key GAQYIAUCJFSION-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

329.9
MW (Da)
4.60
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.74
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 C20H24ClNO
MW 329.87
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.07

Data from ChEMBL 36 via Core Engine