COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK835462
Chemical Name: 2,4-diacetyl-5-hydroxy-5-methyl-3-(3-nitrophenyl)cyclohexanone
Smiles: CC(=O)C1C(=O)CC(C(C1c1cccc(c1)[N+](=O)[O-])C(=O)C)(C)O

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Molecular Weight: 333.34
Empirical Formula: C17H19NO6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.788
Rotatable bonds: 4
H-donors: 1
H-acceptors: 6
PSA: 117
Number of rings: 2

     

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