COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL553374
Chemical Name: (5aS,6R,8aS,9R,10S,12R,12aR)-3,6,9-trimethyldecahydro-3,12-epoxy[1,2]dioxepino[4,3-i]isochromen-10-yl4-[(2,5-dioxopyrrolidin-1-yl)oxy]-4-oxobutanoate
Smiles: O=C(O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4C2([C@H]([C@H]1C)CC[C@H]4C)OO3)CCC(=O)ON1C(=O)CCC1=O

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Molecular Weight: 481.5
Empirical Formula: C23H31NO10

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.611
Rotatable bonds: 5
H-donors: 0
H-acceptors: 10
PSA: 126
Number of rings: 5

     

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