COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK093898
Chemical Name: dimethyl2-(2,2,8-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate
Smiles: COC(=O)C1=C(S/C(=C\2/c3cccc(c3NC(C2=S)(C)C)C)/S1)C(=O)OC

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Molecular Weight: 421.56
Empirical Formula: C19H19NO4S3

Physical State: Dry powder
Available Amount: 460 mg

Lipinsky:
logP: 4.243
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 147
Number of rings: 3

     

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