COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK012612
Chemical Name: diethyl2-[2,2-dimethyl-1-(phenylcarbonyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate
Smiles: CCOC(=O)C1=C(S/C(=C\2/c3ccccc3N(C(C2=S)(C)C)C(=O)c2ccccc2)/S1)C(=O)OCC

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Molecular Weight: 539.7
Empirical Formula: C27H25NO5S3

Physical State: Dry powder
Available Amount: 517 mg

Lipinsky:
logP: 6.041
Rotatable bonds: 6
H-donors: 0
H-acceptors: 5
PSA: 155
Number of rings: 4

     

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