COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL553722
Chemical Name: 5-[(2-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-1-thio-beta-D-glucopyranoside
Smiles: CCn1c(nnc1COc1ccccc1Cl)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: 599.06
Empirical Formula: C25H31ClN4O9S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.645
Rotatable bonds: 9
H-donors: 1
H-acceptors: 9
PSA: 182
Number of rings: 3

     

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