COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK316013
Chemical Name: methyl2,7,7-trimethyl-4-(3-nitro-4-{[3-(trifluoromethyl)benzyl]oxy}phenyl)-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-])OCc1cccc(c1)C(F)(F)F)C(=O)CC(C2)(C)C

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Molecular Weight: 544.53
Empirical Formula: C28H27F3N2O6

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 4.415
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 110
Number of rings: 4

     

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