COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL532982
Chemical Name: N-(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)-L-leucyl-L-leucine
Smiles: CC(C[C@@H](C(=O)N[C@H](C(=O)O)CC(C)C)NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4[C@]2([C@H]([C@H]1C)CC[C@H]4C)OO3)C

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Molecular Weight: 610.75
Empirical Formula: C31H50N2O10

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.33
Rotatable bonds: 11
H-donors: 3
H-acceptors: 10
PSA: 158
Number of rings: 4

     

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