COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK061541
Chemical Name: methyl(2Z)-5-phenyl-2-(2,2,6,7-tetramethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4-carboxylate
Smiles: COC(=O)C1=C(S/C(=C/2\c3cc(C)c(cc3NC(C2=S)(C)C)C)/S1)c1ccccc1

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Molecular Weight: 453.65
Empirical Formula: C24H23NO2S3

Physical State: Dry powder
Available Amount: 356 mg

Lipinsky:
logP: 7.009
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 121
Number of rings: 4

     

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