COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL299824
Chemical Name: (2E,3beta,5xi,9xi,13xi,18xi,19beta)-2-(furan-2-ylmethylidene)-19,28-epoxyoleanan-3-ol
Smiles: O[C@H]1/C(=C/c2ccco2)/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: 520.8
Empirical Formula: C35H52O3

Physical State: Dry powder
Available Amount: 513 mg

Lipinsky:
logP: 10.246
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 42
Number of rings: 7

     

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