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Compound Detail

CHEMBL2079199

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CCCCCCCCSCC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2079199
Phase Preclinical
Structure Type MOL
InChI Key SHDFSZYRVCBUSH-KBXIAJHMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

305.5
MW (Da)
1.52
ALogP
5
HBA
4
HBD
72.7
PSA (Ų)
0.46
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H31NO3S
MW 305.48
Aromatic Rings 0
Heavy Atoms 20
NP-Likeness 0.92

Data from ChEMBL 36 via Core Engine