COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL480731
Chemical Name: 5-phenyl-4-(prop-2-en-1-yl)-2-[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxyhexopyranosyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: C=CCn1c(nn(c1=S)C1OC(COC(=O)C)C(C(C1NC(=O)C)OC(=O)C)OC(=O)C)c1ccccc1

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Molecular Weight: 546.6
Empirical Formula: C25H30N4O8S

Physical State: Dry powder
Available Amount: 49 mg

Lipinsky:
logP: 1.443
Rotatable bonds: 11
H-donors: 1
H-acceptors: 8
PSA: 168
Number of rings: 3

     

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