COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL524696
Chemical Name: 2,3,6-tri-O-acetyl-N-(thioxomethylidene)-4-O-(2,3,4-tri-O-acetyl-alpha-D-xylopyranosyl)-alpha-D-glucopyranosylamine
Smiles: S=C=N[C@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)O[C@H]1OC[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C

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Molecular Weight: 605.57
Empirical Formula: C24H31NO15S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.178
Rotatable bonds: 7
H-donors: 0
H-acceptors: 15
PSA: 229
Number of rings: 2

     

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