COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL564576
Chemical Name: (1S,3R,6S,6aR,6bR,8S,9S,11R,11aR,12R,12aR,14R)-1-ethyl-6,8,11-trihydroxy-3-methyl-10-methylenetetradecahydro-3,6a,12-(epiethane[1,1,2]triyl)-9,11a-methanoazuleno[2,1-b]azocine1-oxide
Smiles: CC[N@+]1([O-])C[C@]2(C)CC[C@@H]([C@]34C1[C@@H](C[C@H]23)[C@]12[C@H]4C[C@@H]([C@@H](C1)C(=C)[C@H]2O)O)O

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Molecular Weight: 375.51
Empirical Formula: C22H33NO4

Available Amount: 0 mg

Lipinsky:
logP: -0.517
Rotatable bonds: 1
H-donors: 3
H-acceptors: 4
PSA: 77
Number of rings: 6

     

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