COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL299817
Chemical Name: (2E,5xi,9xi,13xi,18xi,19beta)-2-(thiophen-2-ylmethylidene)-19,28-epoxyoleanan-3-one
Smiles: O=C1/C(=C/c2cccs2)/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: 534.85
Empirical Formula: C35H50O2S

Physical State: Dry powder
Available Amount: 138 mg

Lipinsky:
logP: 10.516
Rotatable bonds: 1
H-donors: 0
H-acceptors: 2
PSA: 54
Number of rings: 7

     

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