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Compound Detail

CHEMBL1178358

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CCn1c(/C=C/C=c2/c3cccc4cccc(c43)n2C)[n+](CC)c2cc3ccccc3cc21

Basic Information

ChEMBL ID CHEMBL1178358
Phase Preclinical
Structure Type MOL
InChI Key BHUUTCSAQXIUDY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

430.6
MW (Da)
5.98
ALogP
2
HBA
0
HBD
13.7
PSA (Ų)
0.31
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H28N3+
MW 430.58
Aromatic Rings 6
Heavy Atoms 33
NP-Likeness -0.04

Data from ChEMBL 36 via Core Engine