COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL532913
Chemical Name: (2S,3R)-3-methyl-2-((S)-4-methyl-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)pentanamido)pentanoicacid
Smiles: CCC([C@@H](C(=O)O)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)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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