COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK687137
Chemical Name: ethyl4-(3-nitrophenyl)-2,5-dioxo-7-(thiophen-2-yl)-1-[2-(trifluoromethyl)phenyl]-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate
Smiles: CCOC(=O)C1C(=O)C2=C(CC1c1cccs1)N(C(=O)CC2c1cccc(c1)[N+](=O)[O-])c1ccccc1C(F)(F)F

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Molecular Weight: 584.57
Empirical Formula: C29H23F3N2O6S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.554
Rotatable bonds: 5
H-donors: 0
H-acceptors: 6
PSA: 137
Number of rings: 5

     

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