COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL010539
Chemical Name: 5-[(2-chlorophenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-1-thio-beta-D-glucopyranoside
Smiles: CC(=O)OC[C@H]1O[C@@H](Sc2nnc(n2c2ccccc2)COc2ccccc2Cl)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)NC(=O)C

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Molecular Weight: 647.11
Empirical Formula: C29H31ClN4O9S

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 5.303
Rotatable bonds: 8
H-donors: 1
H-acceptors: 9
PSA: 182
Number of rings: 4

     

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