COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL525549
Chemical Name: (3beta,5xi,9xi)-3-(hydroxymethoxy)-11-oxooleana-12,18-dien-30-oicacid
Smiles: OCO[C@H]1CC[C@]2(C(C1(C)C)CC[C@@]1(C2C(=O)C=C2[C@@]1(C)CC[C@@]1(C2=C[C@](C)(CC1)C(=O)O)C)C)C

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Molecular Weight: 498.7
Empirical Formula: C31H46O5

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 6.154
Rotatable bonds: 3
H-donors: 2
H-acceptors: 5
PSA: 83
Number of rings: 5

     

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