COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL429968
Chemical Name: ethyl(2S)-[(2alpha,5xi,9xi,13xi,18xi,19beta)-3-oxo-19,28-epoxyoleanan-2-yl](1H-pyrrol-2-yl)ethanoate
Smiles: CCOC(=O)[C@@H]([C@@H]1C[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)c1[nH]ccc1

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Molecular Weight: 591.87
Empirical Formula: C38H57NO4

Available Amount: 0 mg

Lipinsky:
logP: 9.017
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 68
Number of rings: 7

     

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