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Compound Detail

CHEMBL118776

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Oc1ccc2c(c1)C1CC(c3ccoc3)(c3ccoc3)C2c2cccc[n+]21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL118776
Phase Preclinical
Structure Type MOL
InChI Key SIAPMUSRZHXEFY-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

356.4
MW (Da)
4.29
ALogP
3
HBA
1
HBD
50.4
PSA (Ų)
0.55
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H18NO3+
MW 356.40
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness 0.90

Data from ChEMBL 36 via Core Engine