COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL553727
Chemical Name: 5-[(2-chlorophenoxy)methyl]-4-pentyl-4H-1,2,4-triazol-3-yl3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-1-thiohexopyranoside
Smiles: CCCCCn1c(nnc1COc1ccccc1Cl)SC1OC(COC(=O)C)C(C(C1NC(=O)C)OC(=O)C)OC(=O)C

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Molecular Weight: 641.14
Empirical Formula: C28H37ClN4O9S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.239
Rotatable bonds: 17
H-donors: 1
H-acceptors: 9
PSA: 182
Number of rings: 3

     

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