COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL528603
Chemical Name: (2Z,5xi,9xi,13xi,17xi,18xi)-2-(3-nitrobenzylidene)-3-oxolup-20(29)-en-28-oicacid
Smiles: CC(=C)[C@@H]1CCC2(C1C1CCC3[C@@]([C@]1(C)CC2)(C)CCC1[C@]3(C)C/C(=C/c2cccc(c2)[N+](=O)[O-])/C(=O)C1(C)C)C(=O)O

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Molecular Weight: 587.8
Empirical Formula: C37H49NO5

Physical State: Dry powder
Available Amount: 62 mg

Lipinsky:
logP: 10.624
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 100
Number of rings: 6

     

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