COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK407489
Chemical Name: 3-[2-(ethylsulfanyl)ethyl]6-methyl4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Smiles: CCSCCOC(=O)C1=C(C)NC2=C(C1c1cc(Br)c(c(c1)OCC)O)C(=O)C(C(C2)C)C(=O)OC

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Molecular Weight: 582.51
Empirical Formula: C26H32BrNO7S

Physical State: Dry powder
Available Amount: 164 mg

Lipinsky:
logP: 4.126
Rotatable bonds: 12
H-donors: 2
H-acceptors: 7
PSA: 136
Number of rings: 3

     

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