COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK407478
Chemical Name: 3-[2-(ethylsulfanyl)ethyl]6-methyl4-(4-hydroxy-3-methoxy-5-nitrophenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Smiles: CCSCCOC(=O)C1=C(C)NC2=C(C1c1cc(OC)c(c(c1)[N+](=O)[O-])O)C(=O)C(C(C2)C)C(=O)OC

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Molecular Weight: 534.59
Empirical Formula: C25H30N2O9S

Physical State: Dry powder
Available Amount: 193 mg

Lipinsky:
logP: 3.018
Rotatable bonds: 11
H-donors: 2
H-acceptors: 9
PSA: 182
Number of rings: 3

     

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