COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK095573
Chemical Name: benzyl4-(2-chloro-5-nitrophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Smiles: O=C1NC(=C(C(C1)c1cc(ccc1Cl)[N+](=O)[O-])C(=O)OCc1ccccc1)C

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Molecular Weight: 400.82
Empirical Formula: C20H17ClN2O5

Physical State: Dry powder
Available Amount: 433 mg

Lipinsky:
logP: 4.131
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 101
Number of rings: 3

     

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