COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK055919
Chemical Name: 2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)(2-hydroxy-5-nitrophenyl)methyl]-5,5-dimethylcyclohexane-1,3-dione
Smiles: O=C1CC(C)(C)CC(=O)C1C(c1cc(ccc1O)[N+](=O)[O-])C1=C(O)CC(CC1=O)(C)C

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Molecular Weight: 429.47
Empirical Formula: C23H27NO7

Physical State: Dry powder
Available Amount: 682 mg

Lipinsky:
logP: 3.535
Rotatable bonds: 5
H-donors: 2
H-acceptors: 7
PSA: 137
Number of rings: 3

     

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