COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL564930
Chemical Name: (1S,3aS,5aR,6aR,9aS,10aR,10bR,12aR)-3a-hydroxy-1-[(4R,5R)-5-(3-hydroxy-3-methylbutyl)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-8,8,10a,12a-tetramethyl-1,2,3,3a,5a,6,6a,9a,10,10a,10b,11,12,12a-tetradecahydro
Smiles: O=C1C=C2[C@@H]([C@@]3([C@H]1C[C@H]1OC(O[C@H]1C3)(C)C)C)CC[C@]1([C@@]2(O)CC[C@@H]1[C@@]1(C)OC(O[C@@H]1CCC(O)(C)C)(C)C)C

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Molecular Weight: 560.77
Empirical Formula: C33H52O7

Available Amount: 0 mg

Lipinsky:
logP: 3.675
Rotatable bonds: 5
H-donors: 2
H-acceptors: 7
PSA: 94
Number of rings: 6

     

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