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Compound Detail

CHEMBL3040282

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OC1CCNc2cc[n+](c3ccccc23)CCCCC[n+]2ccc(c3ccccc32)NCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3040282
Phase Preclinical
Structure Type MOL
InChI Key HLKNBJUAGLMISI-XDHTVYJESA-P
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

442.6
MW (Da)
4.42
ALogP
3
HBA
3
HBD
52.0
PSA (Ų)
0.35
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H34N4O+2
MW 442.61
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness 0.37

Data from ChEMBL 36 via Core Engine