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Compound Detail

CHEMBL1186927

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c1cc2nc3ccc(N4CCCCC4)cc3[o+]c2cc1N1CCCCC1

Basic Information

ChEMBL ID CHEMBL1186927
Phase Preclinical
Structure Type MOL
InChI Key KAJZBQWQFZXWIC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

348.5
MW (Da)
5.24
ALogP
3
HBA
0
HBD
30.7
PSA (Ų)
0.47
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26N3O+
MW 348.47
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.46

Data from ChEMBL 36 via Core Engine