COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL553273
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-methoxy-2-oxo-1-phenylethyl)amino]-4-oxobutanoate
Smiles: COC(=O)C(c1ccccc1)NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4C2([C@H]([C@H]1C)CC[C@H]4C)OO3

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Molecular Weight: 531.6
Empirical Formula: C28H37NO9

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.353
Rotatable bonds: 7
H-donors: 1
H-acceptors: 9
PSA: 118
Number of rings: 5

     

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