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Compound Detail

CHEMBL1178701

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c1ccc(COc2ccc(OCc3ccc(CN4CCCCC4)cc3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1178701
Phase Preclinical
Structure Type MOL
InChI Key DQWDHAYPCKQVEM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

387.5
MW (Da)
5.83
ALogP
3
HBA
0
HBD
21.7
PSA (Ų)
0.49
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H29NO2
MW 387.52
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.75

Data from ChEMBL 36 via Core Engine