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Compound Detail

CHEMBL3140034

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c1cc[n+](CCCCCCC[n+]2cccc3ccccc32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3140034
Phase Preclinical
Structure Type MOL
InChI Key AJEOSTRBVYLHFL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

306.4
MW (Da)
4.07
ALogP
0
HBA
0
HBD
7.8
PSA (Ų)
0.44
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H26N2+2
MW 306.45
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.11

Data from ChEMBL 36 via Core Engine