COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL527231
Chemical Name: 2-({[(5xi,9xi,13xi,17xi,18xi)-28-oxo-19,28-epoxyoleanan-3-yl]oxy}carbonyl)benzoicacid
Smiles: O=C1OC2C3C1(CC[C@@]1(C3CCC3[C@@]1(C)CCC1[C@]3(C)CCC(C1(C)C)OC(=O)c1ccccc1C(=O)O)C)CCC2(C)C

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Molecular Weight: 604.83
Empirical Formula: C38H52O6

Physical State: Dry powder
Available Amount: 58 mg

Lipinsky:
logP: 9.678
Rotatable bonds: 5
H-donors: 1
H-acceptors: 6
PSA: 89
Number of rings: 7

     

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