COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL535522
Chemical Name: 5-[(4-methylphenoxy)methyl]-4-pentyl-4H-1,2,4-triazol-3-yl3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-1-thio-beta-D-glucopyranoside
Smiles: CCCCCn1c(nnc1COc1ccc(cc1)C)S[C@@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1NC(=O)C)OC(=O)C)OC(=O)C

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Molecular Weight: 620.72
Empirical Formula: C29H40N4O9S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.154
Rotatable bonds: 11
H-donors: 1
H-acceptors: 9
PSA: 182
Number of rings: 3

     

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