COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL299823
Chemical Name: (2E,5xi,9xi,13xi,18xi,19beta)-2-[4-(difluoromethoxy)-3-methoxybenzylidene]-19,28-epoxyoleanan-3-one
Smiles: COc1cc(ccc1OC(F)F)/C=C/1\C[C@@]2(C)C(C(C1=O)(C)C)CC[C@@]1(C2CCC2[C@@]1(C)CC[C@@]13C2[C@H](OC1)C(C)(C)CC3)C

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Molecular Weight: 624.85
Empirical Formula: C39H54F2O4

Available Amount: 0 mg

Lipinsky:
logP: 10.708
Rotatable bonds: 4
H-donors: 0
H-acceptors: 4
PSA: 44
Number of rings: 7

     

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