COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL527381
Chemical Name: (5xi,9xi,13xi,17xi,18xi)-3-(acetyloxy)lup-20(29)-en-28-ylmethylbutanedioate
Smiles: COC(=O)CCC(=O)OCC12CC[C@H](C2C2[C@](CC1)(C)[C@]1(C)CCC3[C@](C1CC2)(C)CCC(C3(C)C)OC(=O)C)C(=C)C

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Molecular Weight: 598.86
Empirical Formula: C37H58O6

Physical State: Dry powder
Available Amount: 57 mg

Lipinsky:
logP: 10.823
Rotatable bonds: 9
H-donors: 0
H-acceptors: 6
PSA: 78
Number of rings: 5

     

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