COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL553252
Chemical Name: (2S,3S)-3-hydroxy-2-(4-oxo-4-(((3R,5aS,6R,8aS,9R,10S,12R,12aR)-3,6,9-trimethyldecahydro-3H-3,12-epoxy[1,2]dioxepino[4,3-i]isochromen-10-yl)oxy)butanamido)-3-phenylpropanoicacid
Smiles: O=C(N[C@@H](C(c1ccccc1)O)C(=O)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: 547.6
Empirical Formula: C28H37NO10

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 3.543
Rotatable bonds: 8
H-donors: 3
H-acceptors: 10
PSA: 149
Number of rings: 5

     

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