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Compound Detail

CHEMBL3039628

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COc1c2cccc1CNc1cc[n+](c3ccccc13)CCCCC[n+]1ccc(c3ccccc31)NC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3039628
Phase Preclinical
Structure Type MOL
InChI Key UJUNIQIZFBSZKZ-ZHYQNJNFSA-P
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

490.6
MW (Da)
5.98
ALogP
3
HBA
2
HBD
41.0
PSA (Ų)
0.28
QED
1
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H34N4O+2
MW 490.65
Aromatic Rings 5
Heavy Atoms 37
NP-Likeness 0.21

Data from ChEMBL 36 via Core Engine