COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK421927
Chemical Name: 3-[2-(ethylsulfanyl)ethyl]6-methyl2,7-dimethyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Smiles: CCSCCOC(=O)C1=C(C)NC2=C(C1c1cccs1)C(=O)C(C(C2)C)C(=O)OC

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Molecular Weight: 449.59
Empirical Formula: C22H27NO5S2

Physical State: Dry powder
Available Amount: 8 mg

Lipinsky:
logP: 3.196
Rotatable bonds: 9
H-donors: 1
H-acceptors: 5
PSA: 135
Number of rings: 3

     

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