COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL565439
Chemical Name: 1,1'-[(1R,2R,3S,4R,5R,6R)-4-{[(2S,3R,4S,5R)-2-{[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)tetrahydro-2H-pyran-2-yl]oxy}-4-hydroxy-4-(hydroxymethyl)-5-methyltetrahydrofuran-3-yl]o
Smiles: OC[C@@H]1O[C@@H](O[C@@H]2O[C@@H]([C@@]([C@H]2O[C@H]2[C@H](O)[C@H](O)[C@@H]([C@H]([C@@H]2NC(=N)N)O)NC(=N)N)(O)CO)C)[C@H]([C@@H]([C@H]1O)O)NC

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Molecular Weight: 583.6
Empirical Formula: C21H41N7O12

Physical State: Liquid
Available Amount: 10 mg

Lipinsky:
logP: -3.293
Rotatable bonds: 2
H-donors: 17
H-acceptors: 12
PSA: 334
Number of rings: 3

     

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