COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK060188
Chemical Name: 3-hydroxy-2-[1-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-2-en-1-yl)-3-phenylprop-2-yn-1-yl]-5,5-dimethylcyclohex-2-en-1-one
Smiles: O=C1CC(C)(C)C=C(C1C(C1=C(O)CC(CC1=O)(C)C)C#Cc1ccccc1)O

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Molecular Weight: 392.49
Empirical Formula: C25H28O4

Physical State: Dry powder
Available Amount: 221 mg

Lipinsky:
logP: 6.477
Rotatable bonds: 4
H-donors: 2
H-acceptors: 4
PSA: 74
Number of rings: 3

     

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