COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL299815
Chemical Name: (2E,5xi,9xi,13xi,18xi,19beta)-2-[2-(trifluoromethoxy)benzylidene]-19,28-epoxyoleanan-3-one
Smiles: O=C1/C(=C/c2ccccc2OC(F)(F)F)/C[C@]2(C(C1(C)C)CC[C@@]1(C2CCC2[C@@]1(C)CC[C@@]13C2[C@H](OC1)C(C)(C)CC3)C)C

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Molecular Weight: 612.82
Empirical Formula: C38H51F3O3

Physical State: Dry powder
Available Amount: 118 mg

Lipinsky:
logP: 11.742
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 35
Number of rings: 7

     

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