COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL553288
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-(3,4-dihydroxyphenyl)ethyl]amino}-4-oxobutanoate
Smiles: O=C(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)NCCc1ccc(c(c1)O)O

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Molecular Weight: 519.59
Empirical Formula: C27H37NO9

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.202
Rotatable bonds: 9
H-donors: 3
H-acceptors: 9
PSA: 132
Number of rings: 5

     

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