COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK050132
Chemical Name: 2-(ethylsulfanyl)ethyl4-(3-bromo-4-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)Br)OC)C(=O)CC(C2)c1ccc(cc1)OC

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Molecular Weight: 586.55
Empirical Formula: C29H32BrNO5S

Physical State: Dry powder
Available Amount: 194 mg

Lipinsky:
logP: 5.105
Rotatable bonds: 8
H-donors: 1
H-acceptors: 5
PSA: 99
Number of rings: 4

     

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