COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK177316
Chemical Name: (3R,4R,6S,7S,9S,12R,13R)-6-{[4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-[(5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy]-10-imino-3,
Smiles: CCC1OC(=O)[C@H](C)[C@H](OC2OC(C)C(C(C2)(C)OC)O)C(C)[C@H](OC2OC(C)CC(C2O)N(C)C)[C@@](C[C@@H](C(=N)C([C@@H]([C@@]1(C)O)O)C)C)(C)O

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Molecular Weight: 732.95
Empirical Formula: C37H68N2O12

Physical State: Dry powder
Available Amount: 1007 mg

Lipinsky:
logP: 1.995
Rotatable bonds: 8
H-donors: 6
H-acceptors: 12
PSA: 200
Number of rings: 3

     

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