COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK077101
Chemical Name: diethyl2-[7-methoxy-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/c3ccc(cc3N(C(C2=S)(C)C)C(=O)c2ccccc2)OC)/S1)C(=O)OCC

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Molecular Weight: 569.72
Empirical Formula: C28H27NO6S3

Physical State: Dry powder
Available Amount: 460 mg

Lipinsky:
logP: 5.987
Rotatable bonds: 7
H-donors: 0
H-acceptors: 6
PSA: 164
Number of rings: 4

     

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