COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK684941
Chemical Name: diethyl2-amino-1-(2-methyl-5-nitrophenyl)-5-oxo-4-(pyridin-3-yl)-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Smiles: CCOC(=O)C1=C(N)N(C2=C(C1c1cccnc1)C(=O)C(C(=O)OCC)C(C2)c1cccs1)c1cc(ccc1C)[N+](=O)[O-]

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Molecular Weight: 602.67
Empirical Formula: C31H30N4O7S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.618
Rotatable bonds: 8
H-donors: 2
H-acceptors: 7
PSA: 185
Number of rings: 5

     

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