COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK065657
Chemical Name: diethyl2-(2,2,7-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate
Smiles: CCOC(=O)C1=C(S/C(=C\2/c3ccc(cc3NC(C2=S)(C)C)C)/S1)C(=O)OCC

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Molecular Weight: 449.62
Empirical Formula: C21H23NO4S3

Physical State: Dry powder
Available Amount: 34 mg

Lipinsky:
logP: 5.305
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 147
Number of rings: 3

     

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