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Compound Detail

CHEMBL1184195

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CCCCCCCCCCCCCCCCCC1CCC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1184195
Phase Preclinical
Structure Type MOL
InChI Key NUXWOIMONMWDJY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

545.8
MW (Da)
8.29
ALogP
4
HBA
0
HBD
59.7
PSA (Ų)
0.12
QED
2
Ro5 Violations
21
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H57N2O4+
MW 545.83
Aromatic Rings 1
Heavy Atoms 39
NP-Likeness 0.28

Data from ChEMBL 36 via Core Engine