COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL526067
Chemical Name: (2Z,5xi,9xi,13xi,17xi,18xi)-2-(3-iodobenzylidene)-3-oxolup-20(29)-en-28-oicacid
Smiles: Ic1cccc(c1)/C=C\1/C[C@@]2(C)C(C(C1=O)(C)C)CC[C@@]1(C2CCC2[C@@]1(C)CCC1(C2[C@@H](CC1)C(=C)C)C(=O)O)C

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Molecular Weight: 668.7
Empirical Formula: C37H49IO3

Physical State: Dry powder
Available Amount: 67 mg

Lipinsky:
logP: 11.755
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 54
Number of rings: 6

     

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