COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL553157
Chemical Name: (3R,4R,6S,6aS,8R,9R,10S,11S,11aR,12R,13R)-11a-acetoxy-4-(2-chloroacetoxy)-1-ethyl-9,11-dihydroxy-6,10,13-trimethoxy-3-(methoxymethyl)tetradecahydro-1H-3,6a,12-(epiethane[1,1,2]triyl)-7,9-methanonaphth
Smiles: COC[C@@]12CN(CC)[C@H]3[C@]4(C2[C@@H](OC)[C@H]3[C@@]2(C3C4C[C@@]([C@@H]3OC(=O)c3ccccc3)([C@H]([C@@H]2O)OC)O)OC(=O)C)[C@H](C[C@H]1OC(=O)CCl)OC

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Molecular Weight: 722.23
Empirical Formula: C36H48ClNO12

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 1.177
Rotatable bonds: 5
H-donors: 2
H-acceptors: 12
PSA: 159
Number of rings: 7

     

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