COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK034287
Chemical Name: 2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)(5-nitrothiophen-2-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
Smiles: O=C1CC(C)(C)CC(=O)C1C(C1=C(O)CC(CC1=O)(C)C)c1ccc(s1)[N+](=O)[O-]

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Molecular Weight: 419.5
Empirical Formula: C21H25NO6S

Physical State: Dry powder
Available Amount: 362 mg

Lipinsky:
logP: 3.611
Rotatable bonds: 4
H-donors: 1
H-acceptors: 6
PSA: 145
Number of rings: 3

     

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