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Compound Detail

CHEMBL3139792

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C[N+](C)(C)[C@H]1CO[C@@H](C(c2ccccc2)c2ccccc2)OC1

Basic Information

ChEMBL ID CHEMBL3139792
Phase Preclinical
Structure Type MOL
InChI Key LYEDTFGSMSUZGV-PUZFROQSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

312.4
MW (Da)
3.27
ALogP
2
HBA
0
HBD
18.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H26NO2+
MW 312.43
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.29

Data from ChEMBL 36 via Core Engine