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Compound Detail

CHEMBL1181098

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CCCCCCCCCCCCCCOc1ccc(CC(=O)NCc2cccc[n+]2C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1181098
Phase Preclinical
Structure Type MOL
InChI Key JPQVQRHPVXZITM-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

453.7
MW (Da)
6.45
ALogP
2
HBA
1
HBD
42.2
PSA (Ų)
0.21
QED
1
Ro5 Violations
18
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H45N2O2+
MW 453.69
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -0.50

Data from ChEMBL 36 via Core Engine