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Compound Detail

CHEMBL2078889

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C[C@H]1[C@@H](OCCNCc2ccco2)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3

Basic Information

ChEMBL ID CHEMBL2078889
Phase Preclinical
Structure Type MOL
InChI Key RZHPDUNYCHIBFX-VXPQEUECSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

407.5
MW (Da)
3.59
ALogP
7
HBA
1
HBD
71.3
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H33NO6
MW 407.51
Aromatic Rings 1
Heavy Atoms 29
NP-Likeness 2.14

Data from ChEMBL 36 via Core Engine