COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL553723
Chemical Name: 5-[(4-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-1-thiohexopyranoside
Smiles: CCn1c(nnc1COc1ccc(cc1)Cl)SC1OC(COC(=O)C)C(C(C1NC(=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: 58 mg

Lipinsky:
logP: 3.786
Rotatable bonds: 13
H-donors: 1
H-acceptors: 9
PSA: 182
Number of rings: 3

     

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