COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL529335
Chemical Name: (1R,4aR,9aR,10R,13bS)-8,10-dimethoxy-2-methyl-13,13-dioxido-1,2,3,4,9a,10,10a,13a-octahydro-10,13b-etheno-1,5-methano[1]benzofuro[3,2-e]thieno[3,2-h]isoquinolin-11-yl4-methylbenzenesulfonate
Smiles: COc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@@]24C=C[C@@]1(OC)C1C2S(=O)(=O)C=C1OS(=O)(=O)c1ccc(cc1)C)C

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Molecular Weight: 597.71
Empirical Formula: C30H31NO8S2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.295
Rotatable bonds: 4
H-donors: 0
H-acceptors: 8
PSA: 125
Number of rings: 9

     

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