COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK004322
Chemical Name: 2,2'-{benzene-1,4-diylbis[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methanediyl]}bis(5,5-dimethylcyclohexane-1,3-dione)
Smiles: O=C1CC(C)(C)CC(=O)C1C(C1=C(O)CC(CC1=O)(C)C)c1ccc(cc1)C(C1=C(O)CC(CC1=O)(C)C)C1C(=O)CC(CC1=O)(C)C

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Molecular Weight: 658.83
Empirical Formula: C40H50O8

Physical State: Dry powder
Available Amount: 114 mg

Lipinsky:
logP: 6.148
Rotatable bonds: 6
H-donors: 2
H-acceptors: 8
PSA: 142
Number of rings: 5

     

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