COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL507301
Chemical Name: 2,3,4,6-tetra-O-acetyl-N-[(3-nitrophenyl)carbamothioyl]-beta-D-glucopyranosylamine
Smiles: CC(=O)OC[C@H]1O[C@@H](NC(=S)Nc2cccc(c2)[N+](=O)[O-])[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C

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Molecular Weight: 527.51
Empirical Formula: C21H25N3O11S

Physical State: Dry powder
Available Amount: 151 mg

Lipinsky:
logP: 2.779
Rotatable bonds: 5
H-donors: 2
H-acceptors: 11
PSA: 216
Number of rings: 2

     

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