COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK071438
Chemical Name: dimethyl2-[2,2-dimethyl-1-(phenylcarbonyl)-6-[(phenylcarbonyl)oxy]-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate
Smiles: COC(=O)C1=C(S/C(=C\2/c3cc(ccc3N(C(C2=S)(C)C)C(=O)c2ccccc2)OC(=O)c2ccccc2)/S1)C(=O)OC

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Molecular Weight: 631.75
Empirical Formula: C32H25NO7S3

Physical State: Dry powder
Available Amount: 450 mg

Lipinsky:
logP: 6.35
Rotatable bonds: 6
H-donors: 0
H-acceptors: 7
PSA: 181
Number of rings: 5

     

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