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Compound Detail

CHEMBL2220417

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CC(=O)O[C@H]1[C@@H]([N+]2(C)CCOCC2)C[C@H]2[C@@H]3CC[C@H]4C[C@@H]([N+]5(C)CCCC5)CC[C@]4(C)[C@H]3CC[C@@]21C

Basic Information

ChEMBL ID CHEMBL2220417
Phase Preclinical
Structure Type MOL
InChI Key OIOVNLJLQWBTMZ-RYWJELEGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

502.8
MW (Da)
5.03
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.40
QED
2
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H54N2O3+2
MW 502.78
Aromatic Rings 0
Heavy Atoms 36
NP-Likeness 1.36

Data from ChEMBL 36 via Core Engine