COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK963077
Chemical Name: 2-{[5-(4-bromophenyl)furan-2-yl](2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl}-5,5-dimethylcyclohexane-1,3-dione
Smiles: Brc1ccc(cc1)c1ccc(o1)C(C1=C(O)CC(CC1=O)(C)C)C1C(=O)CC(CC1=O)(C)C

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Molecular Weight: 513.43
Empirical Formula: C27H29BrO5

Available Amount: 0 mg

Lipinsky:
logP: 6.037
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 84
Number of rings: 4

     

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