COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL553751
Chemical Name: 5-[(3-methylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-1-thiohexopyranoside
Smiles: CC(=O)OCC1OC(Sc2nnc(n2c2ccccc2)COc2cccc(c2)C)C(C(C1OC(=O)C)OC(=O)C)NC(=O)C

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Molecular Weight: 626.69
Empirical Formula: C30H34N4O9S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.218
Rotatable bonds: 13
H-donors: 1
H-acceptors: 9
PSA: 182
Number of rings: 4

     

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