COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL553281
Chemical Name: (2S)-[(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)amino](phenyl)ethanoicacid
Smiles: O=C(N[C@@H](c1ccccc1)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: 517.58
Empirical Formula: C27H35NO9

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.012
Rotatable bonds: 7
H-donors: 2
H-acceptors: 9
PSA: 129
Number of rings: 5

     

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