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Compound Detail

CHEMBL2079400

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C[n+]1cccc(CCCCCCCCCCCCCO)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2079400
Phase Preclinical
Structure Type MOL
InChI Key QOQQKWCKGBIJIH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

292.5
MW (Da)
4.34
ALogP
1
HBA
1
HBD
24.1
PSA (Ų)
0.42
QED
0
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H34NO+
MW 292.49
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 0.53

Data from ChEMBL 36 via Core Engine