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Compound Detail

CHEMBL3305912

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CCCCCCCCCCCCCCCCCC(=O)OCC(CO[C@@H]1O[C@H](CS(=O)(=O)O)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCCCC

Basic Information

ChEMBL ID CHEMBL3305912
Phase Preclinical
Structure Type MOL
InChI Key GDDVJRRNJOLGDY-BOFZLWKYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

851.2
MW (Da)
9.68
ALogP
11
HBA
4
HBD
186.1
PSA (Ų)
0.03
QED
3
Ro5 Violations
40
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C45H86O12S
MW 851.24
Aromatic Rings 0
Heavy Atoms 58
NP-Likeness 0.70

Data from ChEMBL 36 via Core Engine