COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK406849
Chemical Name: 4-methylbenzyl2-methyl-4-(4-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Smiles: O=C1NC(=C(C(C1)c1ccc(cc1)[N+](=O)[O-])C(=O)OCc1ccc(cc1)C)C

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Molecular Weight: 380.4
Empirical Formula: C21H20N2O5

Physical State: Dry powder
Available Amount: 161 mg

Lipinsky:
logP: 3.94
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 101
Number of rings: 3

     

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