COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL529341
Chemical Name: methyl(2beta,5xi,9xi,18xi)-2-bromo-3,11-dioxoolean-12-en-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)C[C@H](Br)C(=O)C1(C)C)C

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Molecular Weight: 561.6
Empirical Formula: C31H45BrO4

Physical State: Dry powder
Available Amount: 224 mg

Lipinsky:
logP: 7.165
Rotatable bonds: 1
H-donors: 0
H-acceptors: 4
PSA: 60
Number of rings: 5

     

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