COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK090001
Chemical Name: methyl4-(4-hydroxy-3-nitrophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: COC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)[N+](=O)[O-])O)C(=O)CCC2

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Molecular Weight: 358.35
Empirical Formula: C18H18N2O6

Physical State: Dry powder
Available Amount: 200 mg

Lipinsky:
logP: 1.134
Rotatable bonds: 4
H-donors: 2
H-acceptors: 6
PSA: 121
Number of rings: 3

     

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