COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK076728
Chemical Name: 2-{[4-(diethylamino)-2-hydroxyphenyl](2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl}-5,5-dimethylcyclohexane-1,3-dione
Smiles: CCN(c1ccc(c(c1)O)C(C1=C(O)CC(CC1=O)(C)C)C1C(=O)CC(CC1=O)(C)C)CC

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Molecular Weight: 455.59
Empirical Formula: C27H37NO5

Physical State: Dry powder
Available Amount: 264 mg

Lipinsky:
logP: 4.588
Rotatable bonds: 7
H-donors: 2
H-acceptors: 5
PSA: 94
Number of rings: 3

     

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