COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL526695
Chemical Name: (8xi,9xi,14xi,16xi,17xi,22alpha)-28-acetylspirosol-5-en-3-ylbutanoate
Smiles: CCCC(=O)OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CC3C2[C@H](C)[C@]2(O3)CCC(CN2C(=O)C)C)C)C1)C

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Molecular Weight: 525.77
Empirical Formula: C33H51NO4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.495
Rotatable bonds: 4
H-donors: 0
H-acceptors: 4
PSA: 55
Number of rings: 6

     

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