COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL526259
Chemical Name: methyl(3E,5xi,9xi,13xi,17xi,18xi)-3-(hydroxyimino)lup-20(29)-en-28-oate
Smiles: COC(=O)C12CC[C@H](C2C2[C@](CC1)(C)[C@]1(C)CCC3[C@](C1CC2)(C)CC/C(=N\O)/C3(C)C)C(=C)C

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Molecular Weight: 483.73
Empirical Formula: C31H49NO3

Physical State: Dry powder
Available Amount: 57 mg

Lipinsky:
logP: 9.187
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 58
Number of rings: 5

     

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