COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL553217
Chemical Name: (3R,4R,6S,6aS,8R,9R,10S,11S,11aR,12R,13R)-8-(benzoyloxy)-1-ethyl-6,10,13-trimethoxy-3-(methoxymethyl)tetradecahydro-1H-3,6a,12-(epiethane[1,1,2]triyl)-7,9-methanonaphtho[2,3-b]azocine-4,9,11,11a-tetra
Smiles: COC[C@@]12CN(CC)C3[C@]4(C2[C@@H](OC)[C@H]3[C@@]2(C3C4C[C@@]([C@@H]3OC(=O)c3ccccc3)([C@H]([C@@H]2OC(=O)C)OC)OC(=O)C)OC(=O)C)[C@H](C[C@H]1OC(=O)C)OC

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Molecular Weight: 771.86
Empirical Formula: C40H53NO14

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.65
Rotatable bonds: 6
H-donors: 0
H-acceptors: 14
PSA: 171
Number of rings: 7

     

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