COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK095750
Chemical Name: butyl4-(4-hydroxy-3-nitrophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: CCCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)[N+](=O)[O-])O)C(=O)CC(C2)c1ccccc1

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Molecular Weight: 476.53
Empirical Formula: C27H28N2O6

Physical State: Dry powder
Available Amount: 269 mg

Lipinsky:
logP: 4.393
Rotatable bonds: 7
H-donors: 2
H-acceptors: 6
PSA: 121
Number of rings: 4

     

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