COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL524821
Chemical Name: (5xi,9xi,13xi,17xi,18xi,19xi)-lup-20(29)-ene-3,28-diyl(2E,2'E)bis[3-(4-methoxyphenyl)prop-2-enoate]
Smiles: COc1ccc(cc1)/C=C/C(=O)OCC12CCC(C2C2[C@](CC1)(C)[C@]1(C)CCC3[C@](C1CC2)(C)CCC(C3(C)C)OC(=O)/C=C/c1ccc(cc1)OC)C(=C)C

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Molecular Weight: 763.07
Empirical Formula: C50H66O6

Physical State: Dry powder
Available Amount: 57 mg

Lipinsky:
logP: 14.692
Rotatable bonds: 7
H-donors: 0
H-acceptors: 6
PSA: 71
Number of rings: 7

     

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