COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL124903
Chemical Name: methyl2-({2-[(3-ethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate
Smiles: COC(=O)c1c(SCC(=O)Nc2cccc(c2)CC)[nH]c2c(c1=O)cccc2

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Molecular Weight: 396.47
Empirical Formula: C21H20N2O4S

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 5.216
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 109
Number of rings: 3

     

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