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Compound Detail

CHEMBL2365786

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CO[C@@H]1[C@@H](OC)[C@H](C)[C@@](O)(CC(=O)O)O[C@H]1[C@H](C)[C@H]1O[C@@]2(CC[C@@](C)([C@H]3CC[C@@](C)([C@@H]4O[C@@H]([C@H]5O[C@](C)(O)[C@H](C)C[C@@H]5C)C[C@@H]4OC4C[C@H](OC)[C@@H](OC)[C@H](C)O4)O3)O2)C[C@H](O)[C@H]1C

Basic Information

ChEMBL ID CHEMBL2365786
Phase Preclinical
Structure Type MOL
InChI Key RWVUEZAROXKXRT-VQTXYILKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

917.1
MW (Da)
4.32
ALogP
16
HBA
4
HBD
208.8
PSA (Ų)
0.20
QED
2
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C47H80O17
MW 917.14
Aromatic Rings 0
Heavy Atoms 64
NP-Likeness 1.94

Data from ChEMBL 36 via Core Engine