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Compound Detail

CHEMBL1789321

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C(=C\C[n+]1cccc2ccccc21)\C[n+]1cccc2ccccc21

Basic Information

ChEMBL ID CHEMBL1789321
Phase Preclinical
Structure Type MOL
InChI Key SDYUXZXBOSJBHM-WAYWQWQTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

312.4
MW (Da)
3.82
ALogP
0
HBA
0
HBD
7.8
PSA (Ų)
0.40
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H20N2+2
MW 312.42
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -0.01

Data from ChEMBL 36 via Core Engine