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Compound Detail

CHEMBL1178039

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

Basic Information

ChEMBL ID CHEMBL1178039
Phase Preclinical
Structure Type MOL
InChI Key WGDDQPRABCBUOE-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

618.9
MW (Da)
7.48
ALogP
6
HBA
1
HBD
98.0
PSA (Ų)
0.10
QED
2
Ro5 Violations
24
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H60N3O6+
MW 618.88
Aromatic Rings 1
Heavy Atoms 44
NP-Likeness -0.11

Data from ChEMBL 36 via Core Engine