COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL553218
Chemical Name: N-(((1aR,1bR,4R,4aS,7R,7aS,9aR)-7,9a-dimethyl-3-oxodecahydro-1aH-oxireno[2',3':7,8]naphtho[8a,1-b]furan-4-yl)methyl)-N,N-dimethylbutan-1-aminiumiodide
Smiles: CCCC[N+](CC1C(=O)O[C@@]23[C@H]1CC[C@H]([C@@H]2CC[C@@]1([C@H]3O1)C)C)(C)C

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Saltdata: I-
Molecular Weight: 350.52
Empirical Formula: C21H36NO3

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: -3.552
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 38
Number of rings: 4

     

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