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Compound Detail

CHEMBL1182921

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CCC1(O)CC(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccc(C)cc1c2C[n+]1cccc(C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1182921
Phase Preclinical
Structure Type MOL
InChI Key HRRXCEHJVRCYIT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

482.6
MW (Da)
3.42
ALogP
6
HBA
1
HBD
85.3
PSA (Ų)
0.31
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 C29H28N3O4+
MW 482.56
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness 0.54

Data from ChEMBL 36 via Core Engine