COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL553255
Chemical Name: 1-(4-oxo-4-{[(5aS,6R,8aS,9R,10S,12R,12aR)-3,6,9-trimethyldecahydro-3,12-epoxy[1,2]dioxepino[4,3-i]isochromen-10-yl]oxy}butanoyl)proline
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)N1CCCC1C(=O)O

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Molecular Weight: 481.54
Empirical Formula: C24H35NO9

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.838
Rotatable bonds: 6
H-donors: 1
H-acceptors: 9
PSA: 120
Number of rings: 5

     

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