COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL525017
Chemical Name: (8xi,9xi,14xi,16xi,17xi,22alpha)-28-[(4-methylphenyl)sulfonyl]spirosol-5-en-3-yl4-methylbenzenesulfonate
Smiles: Cc1ccc(cc1)S(=O)(=O)OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CC3C2[C@H](C)[C@]2(O3)CCC(CN2S(=O)(=O)c2ccc(cc2)C)C)C)C1)C

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Molecular Weight: 722.02
Empirical Formula: C41H55NO6S2

Physical State: Dry powder
Available Amount: 58 mg

Lipinsky:
logP: 9.884
Rotatable bonds: 2
H-donors: 0
H-acceptors: 6
PSA: 106
Number of rings: 8

     

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