COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL527077
Chemical Name: 4-oxo-4-{[(5xi,9xi,13xi,17xi,18xi)-28-oxo-19,28-epoxyoleanan-3-yl]oxy}butanoicacid
Smiles: OC(=O)CCC(=O)OC1CC[C@]2(C(C1(C)C)CC[C@@]1(C2CCC2[C@@]1(C)CCC13C2C(OC3=O)C(C)(C)CC1)C)C

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Molecular Weight: 556.78
Empirical Formula: C34H52O6

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 8.338
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 89
Number of rings: 6

     

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