COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK050075
Chemical Name: 2-(ethylsulfanyl)ethyl2,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)SC)C(=O)CC(C2)(C)C

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Molecular Weight: 445.65
Empirical Formula: C24H31NO3S2

Physical State: Dry powder
Available Amount: 200 mg

Lipinsky:
logP: 4.557
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 106
Number of rings: 3

     

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