COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK022980
Chemical Name: 2-[(5-bromo-2,4-dimethoxyphenyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
Smiles: COc1cc(OC)c(cc1C(C1=C(O)CC(CC1=O)(C)C)C1C(=O)CC(CC1=O)(C)C)Br

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Molecular Weight: 507.42
Empirical Formula: C25H31BrO6

Physical State: Dry powder
Available Amount: 195 mg

Lipinsky:
logP: 4.726
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 89
Number of rings: 3

     

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