COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL564557
Chemical Name: (5xi,9xi,13xi,17xi,18xi,19xi)-3-(carboxyoxy)lup-20(29)-en-28-oicacid
Smiles: OC(=O)OC1CC[C@]2(C(C1(C)C)CC[C@@]1(C2CCC2[C@@]1(C)CCC1(C2C(CC1)C(=C)C)C(=O)O)C)C

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Molecular Weight: 500.72
Empirical Formula: C31H48O5

Physical State: Liquid
Available Amount: 300 mg

Lipinsky:
logP: 9.433
Rotatable bonds: 5
H-donors: 2
H-acceptors: 5
PSA: 83
Number of rings: 5

     

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