COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL524464
Chemical Name: (5xi,9xi,13xi,17xi,18xi,19xi)-3-hydroxylup-20(29)-en-28-yl(2E)-3-phenylprop-2-enoate
Smiles: O=C(/C=C/c1ccccc1)OCC12CCC(C2C2[C@](CC1)(C)[C@]1(C)CCC3[C@](C1CC2)(C)CCC(C3(C)C)O)C(=C)C

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Molecular Weight: 572.87
Empirical Formula: C39H56O3

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 11.906
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 46
Number of rings: 6

     

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