COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL532285
Chemical Name: ethylN-(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-tyrosinate
Smiles: CCOC(=O)[C@@H](NC(=O)[C@@H](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)CC(C)C)Cc1ccc(cc1)O

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Molecular Weight: 688.82
Empirical Formula: C36H52N2O11

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.857
Rotatable bonds: 12
H-donors: 3
H-acceptors: 11
PSA: 167
Number of rings: 5

     

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