COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL525783
Chemical Name: methyl(2Z,5xi,9xi,13xi,17xi,18xi)-2-(3-iodobenzylidene)-3-oxolup-20(29)-en-28-oate
Smiles: COC(=O)C12CC[C@H](C2C2[C@](CC1)(C)[C@]1(C)CCC3[C@](C1CC2)(C)C/C(=C/c1cccc(c1)I)/C(=O)C3(C)C)C(=C)C

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Molecular Weight: 682.73
Empirical Formula: C38H51IO3

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 12.217
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 43
Number of rings: 6

     

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