COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL564683
Chemical Name: (1alpha,5xi,9xi,10xi,14alpha)-20-ethyl-1,16-dimethoxy-4-(methoxymethyl)aconitane-8,14-diol
Smiles: COC[C@]12CC[C@@H]([C@@]34C2C[C@H](C3N(C1)CC)[C@@]1(C2C4C[C@@H]([C@@H]2O)[C@H](C1)OC)O)OC

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Molecular Weight: 421.58
Empirical Formula: C24H39NO5

Available Amount: 0 mg

Lipinsky:
logP: -0.496
Rotatable bonds: 2
H-donors: 2
H-acceptors: 5
PSA: 71
Number of rings: 6

     

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