COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK870745
Chemical Name: dimethyl2-(6-ethoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate
Smiles: CCOc1ccc2c(c1)/C(=C\1/SC(=C(S1)C(=O)OC)C(=O)OC)/C(=S)C(N2)(C)C

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Molecular Weight: 451.59
Empirical Formula: C20H21NO5S3

Physical State: Dry powder
Available Amount: 308 mg

Lipinsky:
logP: 4.189
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 156
Number of rings: 3

     

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