COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL299821
Chemical Name: (2E,5xi,9xi,13xi,18xi,19beta)-2-[(4'-pentylbiphenyl-4-yl)methylidene]-19,28-epoxyoleanan-3-one
Smiles: CCCCCc1ccc(cc1)c1ccc(cc1)/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: 675.05
Empirical Formula: C48H66O2

Available Amount: 0 mg

Lipinsky:
logP: 15.044
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 26
Number of rings: 8

     

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