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Compound Detail

CHEMBL3558210

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C[N+](C)(C)CCCCCC[N+]1(C)[C@@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12

Basic Information

ChEMBL ID CHEMBL3558210
Phase Preclinical
Structure Type MOL
InChI Key GHJAWSFCIDDAHY-JRKCLLGNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

446.6
MW (Da)
2.70
ALogP
4
HBA
1
HBD
59.1
PSA (Ų)
0.25
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H42N2O4+2
MW 446.63
Aromatic Rings 1
Heavy Atoms 32
NP-Likeness 1.02

Data from ChEMBL 36 via Core Engine