COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL526496
Chemical Name: 2-({[(5xi,9xi,13xi,17xi,18xi)-28-(acetyloxy)lup-20(29)-en-3-yl]oxy}carbonyl)benzoicacid
Smiles: CC(=O)OCC12CC[C@H](C2C2[C@](CC1)(C)[C@]1(C)CCC3[C@](C1CC2)(C)CCC(C3(C)C)OC(=O)c1ccccc1C(=O)O)C(=C)C

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Molecular Weight: 632.88
Empirical Formula: C40H56O6

Physical State: Dry powder
Available Amount: 57 mg

Lipinsky:
logP: 11.756
Rotatable bonds: 8
H-donors: 1
H-acceptors: 6
PSA: 89
Number of rings: 6

     

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