COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL526246
Chemical Name: 2-({[(5xi,9xi,13xi,17xi,18xi)-3-(acetyloxy)lup-20(29)-en-28-yl]oxy}carbonyl)benzoicacid
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)COC(=O)c1ccccc1C(=O)O)C)C

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Molecular Weight: 632.88
Empirical Formula: C40H56O6

Physical State: Dry powder
Available Amount: 302 mg

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

     

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