COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK005662
Chemical Name: ethyl2-methyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: CCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)SC)C(=O)CC(C2)c1cccs1

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Molecular Weight: 439.6
Empirical Formula: C24H25NO3S2

Physical State: Dry powder
Available Amount: 352 mg

Lipinsky:
logP: 4.004
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 108
Number of rings: 4

     

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