COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK070733
Chemical Name: 2-(ethylsulfanyl)ethyl4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: CCSCCOC(=O)C1=C(C)NC2=C(C1c1cc(Br)c(c(c1)OC)O)C(=O)CC(C2)c1ccccc1

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Molecular Weight: 572.52
Empirical Formula: C28H30BrNO5S

Physical State: Dry powder
Available Amount: 205 mg

Lipinsky:
logP: 4.78
Rotatable bonds: 9
H-donors: 2
H-acceptors: 5
PSA: 110
Number of rings: 4

     

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