COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL525656
Chemical Name: (5xi,9xi,13xi,17xi,18xi,19xi)-lup-20(29)-ene-3,28-diyl(2E,2'E)bis(3-phenylprop-2-enoate)
Smiles: O=C(OCC12CCC(C2C2[C@](CC1)(C)[C@]1(C)CCC3[C@](C1CC2)(C)CCC(C3(C)C)OC(=O)/C=C/c1ccccc1)C(=C)C)/C=C/c1ccccc1

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Molecular Weight: 703.02
Empirical Formula: C48H62O4

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 14.802
Rotatable bonds: 7
H-donors: 0
H-acceptors: 4
PSA: 52
Number of rings: 7

     

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