COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK001498
Chemical Name: 2-[(5-bromo-2-hydroxyphenyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
Smiles: Brc1ccc(c(c1)C(C1=C(O)CC(CC1=O)(C)C)C1C(=O)CC(CC1=O)(C)C)O

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Molecular Weight: 463.37
Empirical Formula: C23H27BrO5

Physical State: Dry powder
Available Amount: 263 mg

Lipinsky:
logP: 4.454
Rotatable bonds: 5
H-donors: 2
H-acceptors: 5
PSA: 91
Number of rings: 3

     

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