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Compound Detail

CHEMBL1193441

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c1ccc(CN2CCC(COC3CCCCC3)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1193441
Phase Preclinical
Structure Type MOL
InChI Key XHRUGEOTIOLUDU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

287.4
MW (Da)
4.25
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 C19H29NO
MW 287.45
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.79

Data from ChEMBL 36 via Core Engine