COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL526104
Chemical Name: (5xi,9xi,13xi,17xi,18xi)-lup-20(29)-ene-3,28-diylbis(4-methylbenzenesulfonate)
Smiles: Cc1ccc(cc1)S(=O)(=O)OCC12CC[C@H](C2C2[C@](CC1)(C)[C@]1(C)CCC3[C@](C1CC2)(C)CCC(C3(C)C)OS(=O)(=O)c1ccc(cc1)C)C(=C)C

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Molecular Weight: 751.1
Empirical Formula: C44H62O6S2

Physical State: Dry powder
Available Amount: 57 mg

Lipinsky:
logP: 13.045
Rotatable bonds: 5
H-donors: 0
H-acceptors: 6
PSA: 103
Number of rings: 7

     

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