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Compound Detail

CHEMBL3306470

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CCCCCCCCCCCCC/C=C/[C@@H](OCc1ccccc1)[C@H](CO[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](OS(=O)(=O)O)[C@@H]1OS(=O)(=O)O)NC(=O)CCCCCCCCCCCCCCC

Basic Information

ChEMBL ID CHEMBL3306470
Phase Preclinical
Structure Type MOL
InChI Key PRDOSHMBNLSJTP-XXNRUAHXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

950.3
MW (Da)
9.27
ALogP
12
HBA
5
HBD
224.4
PSA (Ų)
0.02
QED
3
Ro5 Violations
40
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C47H83NO14S2
MW 950.31
Aromatic Rings 1
Heavy Atoms 64
NP-Likeness 0.80

Data from ChEMBL 36 via Core Engine