COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL525443
Chemical Name: methyl(3beta,5xi,9xi)-3-(acetyloxy)-11-oxooleana-12,18-dien-30-oate
Smiles: COC(=O)[C@@]1(C)CC[C@]2(C(=C1)C1=CC(=O)C3[C@@]([C@@]1(CC2)C)(C)CCC1[C@]3(C)CC[C@@H](C1(C)C)OC(=O)C)C

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Molecular Weight: 524.74
Empirical Formula: C33H48O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.631
Rotatable bonds: 2
H-donors: 0
H-acceptors: 5
PSA: 69
Number of rings: 5

     

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