COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK177326
Chemical Name: 1,1'-[(1R,2R,3S,4S,5R,6R)-4-{[(2R,5S)-2-{[(2S,3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)tetrahydro-2H-pyran-2-yl]oxy}-4-hydroxy-4-methoxy-5-methyltetrahydrofuran-3-yl]oxy}-2,5,6-trih
Smiles: OC[C@H]1O[C@@H](O[C@H]2O[C@H](C(C2O[C@@H]2[C@H](O)[C@H](O)[C@@H]([C@H]([C@@H]2NC(=N)N)O)NC(=N)N)(O)OC)C)[C@H]([C@H]([C@H]1O)O)NC

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Molecular Weight: 583.6
Empirical Formula: C21H41N7O12

Physical State: Dry powder
Available Amount: 4838 mg

Lipinsky:
logP: -2.717
Rotatable bonds: 2
H-donors: 16
H-acceptors: 12
PSA: 323
Number of rings: 3

     

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