COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK048562
Chemical Name: (1alpha,5xi,9xi,10xi,14alpha)-20-ethyl-14,16-dimethoxy-3,4-epoxyaconitane-1,8-diol
Smiles: CO[C@H]1C[C@@]2(O)C3[C@H]([C@@H]1CC3[C@@]13C4[C@H]2CC1[C@@]1(CN4CC)OC1C[C@@H]3O)OC

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Molecular Weight: 391.51
Empirical Formula: C22H33NO5

Physical State: Dry powder
Available Amount: 93 mg

Lipinsky:
logP: -0.634
Rotatable bonds: 0
H-donors: 2
H-acceptors: 5
PSA: 74
Number of rings: 7

     

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