COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL429970
Chemical Name: (5xi,9xi,13xi,18xi,28S)-28-hydroxy-28-(quinolin-4-yl)lup-20(29)-en-3-one
Smiles: CC(=C)[C@@H]1CC[C@]2(C1C1CCC3[C@@]([C@]1(C)CC2)(C)CCC1[C@]3(C)CCC(=O)C1(C)C)[C@@H](c1ccnc2c1cccc2)O

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Molecular Weight: 567.86
Empirical Formula: C39H53NO2

Available Amount: 0 mg

Lipinsky:
logP: 9.88
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 50
Number of rings: 7

     

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