COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL525350
Chemical Name: (3alpha,5alpha,8xi,17xi,20xi)-6-oxocholestane-3,5-diyldiacetate
Smiles: CC(CCCC(C1CC[C@@H]2[C@]1(C)CC[C@H]1C2CC(=O)[C@@]2([C@]1(C)CC[C@H](C2)OC(=O)C)OC(=O)C)C)C

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Molecular Weight: 502.73
Empirical Formula: C31H50O5

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 8.602
Rotatable bonds: 7
H-donors: 0
H-acceptors: 5
PSA: 69
Number of rings: 4

     

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