COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK407198
Chemical Name: ethyl2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Smiles: CCOC(=O)C1=C(C)NC(=O)CC1c1cc2OCOc2cc1[N+](=O)[O-]

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Molecular Weight: 348.31
Empirical Formula: C16H16N2O7

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 2.806
Rotatable bonds: 4
H-donors: 1
H-acceptors: 7
PSA: 119
Number of rings: 3

     

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