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Compound Detail

CHEMBL4117822

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COc1ncccc1/C=C/c1ccc2ccccc2[n+]1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4117822
Phase Preclinical
Structure Type MOL
InChI Key YGMFSGHHPRGZRS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

277.4
MW (Da)
3.24
ALogP
2
HBA
0
HBD
26.0
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17N2O+
MW 277.35
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.37

Data from ChEMBL 36 via Core Engine