COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK686081
Chemical Name: ethyl1-(2,4-difluorophenyl)-4-(3-nitrophenyl)-2,5-dioxo-7-(thiophen-2-yl)-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-])c1ccc(cc1F)F

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Molecular Weight: 552.56
Empirical Formula: C28H22F2N2O6S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.123
Rotatable bonds: 5
H-donors: 0
H-acceptors: 6
PSA: 137
Number of rings: 5

     

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