COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK234915
Chemical Name: 2,2'-{[4-(phenylethynyl)phenyl]methanediyl}bis(5,5-dimethylcyclohexane-1,3-dione)
Smiles: O=C1CC(C)(C)CC(=O)C1C(C1C(=O)CC(CC1=O)(C)C)c1ccc(cc1)C#Cc1ccccc1

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Molecular Weight: 468.59
Empirical Formula: C31H32O4

Physical State: Dry powder
Available Amount: 101 mg

Lipinsky:
logP: 5.557
Rotatable bonds: 2
H-donors: 0
H-acceptors: 4
PSA: 68
Number of rings: 4

     

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