COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL564538
Chemical Name: (5xi,9xi,18alpha)-3,11-dioxoolean-12-en-30-oicacid
Smiles: O=C1C=C2[C@H]3C[C@](C)(CC[C@]3(C)CC[C@]2([C@]2(C1[C@@]1(C)CCC(=O)C(C1CC2)(C)C)C)C)C(=O)O

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Molecular Weight: 468.68
Empirical Formula: C30H44O4

Physical State: Liquid
Available Amount: 300 mg

Lipinsky:
logP: 6.335
Rotatable bonds: 1
H-donors: 1
H-acceptors: 4
PSA: 71
Number of rings: 5

     

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