COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK684715
Chemical Name: diethyl2-amino-4-(3-fluorophenyl)-1-(4-nitrophenyl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Smiles: CCOC(=O)C1=C(N)N(c2ccc(cc2)[N+](=O)[O-])C2=C(C1c1cccc(c1)F)C(=O)C(C(C2)c1cccs1)C(=O)OCC

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Molecular Weight: 605.64
Empirical Formula: C31H28FN3O7S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.542
Rotatable bonds: 8
H-donors: 2
H-acceptors: 7
PSA: 172
Number of rings: 5

     

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