COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL564624
Chemical Name: (5alpha,8xi,9xi,14xi,16xi,17xi,22xi,25R)-12-oxospirostan-3-ylacetate
Smiles: C[C@@H]1CCC2(OC1)OC1C([C@@H]2C)[C@@]2(C(C1)C1CC[C@@H]3[C@](C1CC2=O)(C)CCC(C3)OC(=O)C)C

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Molecular Weight: 472.67
Empirical Formula: C29H44O5

Physical State: Liquid
Available Amount: 300 mg

Lipinsky:
logP: 5.115
Rotatable bonds: 2
H-donors: 0
H-acceptors: 5
PSA: 61
Number of rings: 6

     

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