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Compound Detail

CHEMBL334070

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COc1ccc[n+]2c1C1c3ccccc3C2CC1(c1ccoc1)c1ccoc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL334070
Phase Preclinical
Structure Type MOL
InChI Key PVEDDOYQFMYTGA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

370.4
MW (Da)
4.59
ALogP
3
HBA
0
HBD
39.4
PSA (Ų)
0.50
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 C24H20NO3+
MW 370.43
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness 0.63

Data from ChEMBL 36 via Core Engine