COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK010779
Chemical Name: ethyl7-(3,4-dimethoxyphenyl)-2-methyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: CCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)SC)C(=O)CC(C2)c1ccc(c(c1)OC)OC

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Molecular Weight: 493.62
Empirical Formula: C28H31NO5S

Physical State: Dry powder
Available Amount: 200 mg

Lipinsky:
logP: 4.063
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 99
Number of rings: 4

     

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