COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK801911
Chemical Name: 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}butanoicacid
Smiles: OC(=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

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Molecular Weight: 384.43
Empirical Formula: C19H28O8

Physical State: Dry powder
Available Amount: 1060 mg

Lipinsky:
logP: 2.939
Rotatable bonds: 5
H-donors: 1
H-acceptors: 8
PSA: 100
Number of rings: 4

     

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