COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK395053
Chemical Name: dimethyl2-(1,2,2-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate
Smiles: COC(=O)C1=C(S/C(=C\2/c3ccccc3N(C(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: 377 mg

Lipinsky:
logP: 4.191
Rotatable bonds: 4
H-donors: 0
H-acceptors: 4
PSA: 138
Number of rings: 3

     

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