COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK022615
Chemical Name: dimethyl2-[1-(3-cyclohexylpropanoyl)-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)CCC1CCCCC1)(C)C

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Molecular Weight: 589.8
Empirical Formula: C29H35NO6S3

Physical State: Dry powder
Available Amount: 448 mg

Lipinsky:
logP: 7.665
Rotatable bonds: 9
H-donors: 0
H-acceptors: 6
PSA: 164
Number of rings: 4

     

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