COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK027976
Chemical Name: ethyl(2Z)-2-[7-methoxy-2,2-dimethyl-1-(phenylcarbonyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-5-phenyl-1,3-dithiole-4-carboxylate
Smiles: CCOC(=O)C1=C(S/C(=C/2\c3ccc(cc3N(C(C2=S)(C)C)C(=O)c2ccccc2)OC)/S1)c1ccccc1

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Molecular Weight: 573.76
Empirical Formula: C31H27NO4S3

Physical State: Dry powder
Available Amount: 576 mg

Lipinsky:
logP: 7.762
Rotatable bonds: 4
H-donors: 0
H-acceptors: 4
PSA: 138
Number of rings: 5

     

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