COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK036153
Chemical Name: methyl(2Z)-5-phenyl-2-[2,2,6,7-tetramethyl-1-(phenylcarbonyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4-carboxylate
Smiles: COC(=O)C1=C(S/C(=C/2\c3cc(C)c(cc3N(C(C2=S)(C)C)C(=O)c2ccccc2)C)/S1)c1ccccc1

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Molecular Weight: 557.76
Empirical Formula: C31H27NO3S3

Physical State: Dry powder
Available Amount: 376 mg

Lipinsky:
logP: 8.205
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 129
Number of rings: 5

     

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