COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK062204
Chemical Name: ethyl(2Z)-2-[6-methoxy-2,2-dimethyl-3-thioxo-1-(trifluoroacetyl)-2,3-dihydroquinolin-4(1H)-ylidene]-5-phenyl-1,3-dithiole-4-carboxylate
Smiles: CCOC(=O)C1=C(S/C(=C/2\c3cc(OC)ccc3N(C(C2=S)(C)C)C(=O)C(F)(F)F)/S1)c1ccccc1

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Molecular Weight: 565.66
Empirical Formula: C26H22F3NO4S3

Physical State: Dry powder
Available Amount: 468 mg

Lipinsky:
logP: 8.723
Rotatable bonds: 4
H-donors: 0
H-acceptors: 4
PSA: 138
Number of rings: 4

     

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