COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL173098
Chemical Name: ethyl2-methyl-4-(3-nitro-4-{[3-(trifluoromethyl)benzyl]oxy}phenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: CCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)[N+](=O)[O-])OCc1cccc(c1)C(F)(F)F)C(=O)CCC2

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Molecular Weight: 530.5
Empirical Formula: C27H25F3N2O6

Physical State: Dry powder
Available Amount: 47 mg

Lipinsky:
logP: 3.914
Rotatable bonds: 7
H-donors: 1
H-acceptors: 6
PSA: 110
Number of rings: 4

     

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