COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL525300
Chemical Name: (5alpha,8xi,9xi,14xi,16alpha)-16,17,20-trihydroxypregnan-3-ylacetate
Smiles: CC(=O)OC1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1C[C@H]([C@]2(O)C(O)C)O)C)C

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Molecular Weight: 394.55
Empirical Formula: C23H38O5

Physical State: Dry powder
Available Amount: 57 mg

Lipinsky:
logP: 3.798
Rotatable bonds: 4
H-donors: 3
H-acceptors: 5
PSA: 86
Number of rings: 4

     

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