COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK082340
Chemical Name: methyl(2E)-2-(2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate
Smiles: COC(=O)C1=C(S/C(=C\2/c3ccccc3NC(C2=S)(C)C)/S1)c1ccccc1

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Molecular Weight: 425.6
Empirical Formula: C22H19NO2S3

Physical State: Dry powder
Available Amount: 467 mg

Lipinsky:
logP: 6.089
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 121
Number of rings: 4

     

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