COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL057688
Chemical Name: 3,3,5,5-tetramethyl-6-[(E)-2-(3-nitrophenyl)ethenyl]dihydro-2H-pyran-2,4(3H)-dione
Smiles: [O-][N+](=O)c1cccc(c1)/C=C/C1OC(=O)C(C(=O)C1(C)C)(C)C

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Molecular Weight: 317.34
Empirical Formula: C17H19NO5

Physical State: Dry powder
Available Amount: 254 mg

Lipinsky:
logP: 2.679
Rotatable bonds: 2
H-donors: 0
H-acceptors: 5
PSA: 89
Number of rings: 2

     

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