COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL529139
Chemical Name: S-[(3S,10R,13R)-10,13-dimethyl-17-octyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]tetradecanethioate(non-preferredname)
Smiles: CCCCCCCCCCCCCC(=O)S[C@H]1CC[C@]2(C(=CCC3C2CC[C@]2(C3CCC2CCCCCCCC)C)C1)C

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Molecular Weight: 613.09
Empirical Formula: C41H72OS

Physical State: Dry powder
Available Amount: 140 mg

Lipinsky:
logP: 18.06
Rotatable bonds: 20
H-donors: 0
H-acceptors: 1
PSA: 42
Number of rings: 4

     

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