COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL564796
Chemical Name: (5xi,9xi,13xi,17xi,18xi)-lup-20(29)-en-3-ylacetate
Smiles: CC(=O)OC1CC[C@]2(C(C1(C)C)CC[C@@]1(C2CCC2[C@@]1(C)CCC1(C2[C@@H](CC1)C(=C)C)C)C)C

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Molecular Weight: 468.76
Empirical Formula: C32H52O2

Physical State: Liquid
Available Amount: 300 mg

Lipinsky:
logP: 11.874
Rotatable bonds: 2
H-donors: 0
H-acceptors: 2
PSA: 26
Number of rings: 5

     

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