COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK096843
Chemical Name: 2-(ethylsulfanyl)ethyl2-methyl-4-(4-nitrophenyl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)[N+](=O)[O-])C(=O)CC(C2)c1cccs1

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Molecular Weight: 498.62
Empirical Formula: C25H26N2O5S2

Physical State: Dry powder
Available Amount: 314 mg

Lipinsky:
logP: 4.111
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 154
Number of rings: 4

     

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