COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL524421
Chemical Name: 4-(3-bromo-4-methoxybenzyl)-2-(2,3,4,6-tetra-O-acetyl-D-glucopyranosyl)-1,2,4-triazine-3,5(2H,4H)-dione
Smiles: COc1ccc(cc1Br)Cn1c(=O)cnn(c1=O)C1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C

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Molecular Weight: 642.41
Empirical Formula: C25H28BrN3O12

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 1.339
Rotatable bonds: 9
H-donors: 0
H-acceptors: 12
PSA: 176
Number of rings: 3

     

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