COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK730904
Chemical Name: 2-{[4-(diethylamino)phenyl](2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl}-5,5-dimethylcyclohexane-1,3-dione
Smiles: CCN(c1ccc(cc1)C(C1=C(O)CC(CC1=O)(C)C)C1C(=O)CC(CC1=O)(C)C)CC

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Molecular Weight: 439.6
Empirical Formula: C27H37NO4

Physical State: Dry powder
Available Amount: 9 mg

Lipinsky:
logP: 5.355
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 74
Number of rings: 3

     

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