COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL147083
Chemical Name: 1,1'-bis{2-hydroxy-5-methyl-5-[(2-methylpentan-2-yl)peroxy]hex-3-yn-2-yl}ferrocene
Smiles: CCCC(OOC(C#CC(C1=CC(C=C1)[Fe]C1C=CC(=C1)C(C#CC(OOC(CCC)(C)C)(C)C)(O)C)(O)C)(C)C)(C)C

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Molecular Weight: 638.67
Empirical Formula: C36H54FeO6

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 0
Rotatable bonds: 16
H-donors: 2
H-acceptors: 6
PSA: 77
Number of rings: 2

     

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