COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552787
Chemical Name: 2,2'-[(5xi,9xi,13xi,17xi,18xi,19xi)-lup-20(29)-ene-3,28-diylbis(oxycarbonyl)]dibenzoate
Smiles: [O-]C(=O)c1ccccc1C(=O)OCC12CCC(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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Saltdata: 2Na+
Molecular Weight: 736.95
Empirical Formula: C46H56O8

Physical State: Dry powder
Available Amount: 312 mg

Lipinsky:
logP: 12.709
Rotatable bonds: 7
H-donors: 0
H-acceptors: 8
PSA: 132
Number of rings: 7

     

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