COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL454222
Chemical Name: 5-(methoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridinium-3-carboxylate
Smiles: COC(=O)C1=C(C)[NH2+]C(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)[O-])C

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Molecular Weight: 332.31
Empirical Formula: C16H16N2O6

Available Amount: 0 mg

Lipinsky:
logP: 1.819
Rotatable bonds: 3
H-donors: 2
H-acceptors: 6
PSA: 128
Number of rings: 2

     

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