COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK081010
Chemical Name: dimethyl2-[1-(1,3-benzodioxol-5-ylcarbonyl)-2,2,6,7-tetramethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate
Smiles: COC(=O)C1=C(S/C(=C\2/c3cc(C)c(cc3N(C(C2=S)(C)C)C(=O)c2ccc3c(c2)OCO3)C)/S1)C(=O)OC

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Molecular Weight: 583.71
Empirical Formula: C28H25NO7S3

Physical State: Dry powder
Available Amount: 453 mg

Lipinsky:
logP: 5.311
Rotatable bonds: 5
H-donors: 0
H-acceptors: 7
PSA: 174
Number of rings: 5

     

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