COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK684892
Chemical Name: diethyl2-amino-4-(3-nitrophenyl)-5-oxo-7-(thiophen-2-yl)-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Smiles: CCOC(=O)C1C(CC2=C(C1=O)C(c1cccc(c1)[N+](=O)[O-])C(=C(N2c1cccc(c1)C(F)(F)F)N)C(=O)OCC)c1cccs1

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Molecular Weight: 655.65
Empirical Formula: C32H28F3N3O7S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.222
Rotatable bonds: 8
H-donors: 2
H-acceptors: 7
PSA: 172
Number of rings: 5

     

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