COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL525374
Chemical Name: (5xi,9xi,13xi,17xi,18xi,19xi)-3-hydroxylup-20(29)-en-28-yl(2E)-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)O)C(=C)C

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Molecular Weight: 602.9
Empirical Formula: C40H58O4

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 11.852
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 55
Number of rings: 6

     

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