COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL563209
Chemical Name: bis(3-{1-hydroxy-4-methyl-4-[(2-methylpentan-2-yl)peroxy]-1-phenylpent-2-yn-1-yl}cyclopenta-2,4-dien-1-id-1-yl)iron(2+)
Smiles: CCCC(OOC(C#CC(c1ccccc1)(C1=C[C-](C=C1)[Fe+2][C-]1C=CC(=C1)C(c1ccccc1)(C#CC(OOC(CCC)(C)C)(C)C)O)O)(C)C)(C)C

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Molecular Weight: 760.79
Empirical Formula: C46H56FeO6

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 0
Rotatable bonds: 14
H-donors: 2
H-acceptors: 6
PSA: 77
Number of rings: 4

     

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