COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK072077
Chemical Name: 2-(ethylsulfanyl)ethyl4-(3-bromophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: CCSCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)Br)C(=O)CC(C2)c1ccccc1

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Molecular Weight: 526.49
Empirical Formula: C27H28BrNO3S

Physical State: Dry powder
Available Amount: 290 mg

Lipinsky:
logP: 5.475
Rotatable bonds: 7
H-donors: 1
H-acceptors: 3
PSA: 80
Number of rings: 4

     

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