COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK099371
Chemical Name: 2-(ethylsulfanyl)ethyl4-(2-ethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccccc1OCC)C(=O)CCC2

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Molecular Weight: 415.55
Empirical Formula: C23H29NO4S

Physical State: Dry powder
Available Amount: 291 mg

Lipinsky:
logP: 3.485
Rotatable bonds: 9
H-donors: 1
H-acceptors: 4
PSA: 89
Number of rings: 3

     

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