COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK046334
Chemical Name: dimethyl2-[1-(biphenyl-4-ylcarbonyl)-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(N2C(=O)c1ccc(cc1)c1ccccc1)(C)C

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Molecular Weight: 631.79
Empirical Formula: C33H29NO6S3

Physical State: Dry powder
Available Amount: 452 mg

Lipinsky:
logP: 7.033
Rotatable bonds: 6
H-donors: 0
H-acceptors: 6
PSA: 164
Number of rings: 5

     

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