COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK673113
Chemical Name: 2-[(3,5-dibromo-4-hydroxyphenyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
Smiles: O=C1CC(C)(C)CC(=O)C1C(C1=C(O)CC(CC1=O)(C)C)c1cc(Br)c(c(c1)Br)O

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Molecular Weight: 542.26
Empirical Formula: C23H26Br2O5

Physical State: Dry powder
Available Amount: 65 mg

Lipinsky:
logP: 5.377
Rotatable bonds: 4
H-donors: 2
H-acceptors: 5
PSA: 91
Number of rings: 3

     

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