COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK058739
Chemical Name: 2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)(5-nitrofuran-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(o1)[N+](=O)[O-]

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Molecular Weight: 403.43
Empirical Formula: C21H25NO7

Physical State: Dry powder
Available Amount: 406 mg

Lipinsky:
logP: 2.744
Rotatable bonds: 4
H-donors: 1
H-acceptors: 7
PSA: 130
Number of rings: 3

     

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