COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL553753
Chemical Name: 5-[(4-tert-butylphenoxy)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)COc2ccc(cc2)C(C)(C)C)C(C(C1OC(=O)C)OC(=O)C)NC(=O)C

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Molecular Weight: 668.77
Empirical Formula: C33H40N4O9S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.446
Rotatable bonds: 12
H-donors: 1
H-acceptors: 9
PSA: 182
Number of rings: 4

     

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