COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK234916
Chemical Name: 2,2'-{[4-(3-hydroxy-3-methylbut-1-yn-1-yl)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#CC(O)(C)C

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Molecular Weight: 450.57
Empirical Formula: C28H34O5

Physical State: Dry powder
Available Amount: 33 mg

Lipinsky:
logP: 3.799
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 88
Number of rings: 3

     

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