COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL535342
Chemical Name: 4-(propan-2-yl)-5-(pyridin-4-yl)-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(n2C(C)C)c2ccncc2)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)NC(=O)C

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Molecular Weight: 549.61
Empirical Formula: C24H31N5O8S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.759
Rotatable bonds: 6
H-donors: 1
H-acceptors: 8
PSA: 186
Number of rings: 3

     

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