COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL024452
Chemical Name: 2-(ethylsulfanyl)-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: CCSC1=C(C#N)C(C2=C(N1)CCCC2=O)c1cc(OC)c(c(c1)OC)OC

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Molecular Weight: 400.5
Empirical Formula: C21H24N2O4S

Available Amount: 0 mg

Lipinsky:
logP: 1.872
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 105
Number of rings: 3

     

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