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Compound Detail

CHEMBL1182959

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CCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)COC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1182959
Phase Preclinical
Structure Type MOL
InChI Key ROQUWDZRXDUUDM-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

590.8
MW (Da)
6.70
ALogP
6
HBA
1
HBD
98.0
PSA (Ų)
0.12
QED
2
Ro5 Violations
22
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H56N3O6+
MW 590.83
Aromatic Rings 1
Heavy Atoms 42
NP-Likeness -0.12

Data from ChEMBL 36 via Core Engine