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Compound Detail

CHEMBL1184677

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C[C@@H]1OC(=O)[C@H]2C=C3CCCC[C@@H]3[C@@H]([C@@H]3CC4CCC(C)(C)[N+]4(C)O3)[C@@H]12

Basic Information

ChEMBL ID CHEMBL1184677
Phase Preclinical
Structure Type MOL
InChI Key WRWFIBSHOMVGDI-FZSRWXPYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

360.5
MW (Da)
4.00
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.40
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H34NO3+
MW 360.52
Aromatic Rings 0
Heavy Atoms 26
NP-Likeness 1.39

Data from ChEMBL 36 via Core Engine