COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL361174
Chemical Name: dimethyl2-{1-[(3-fluorophenyl)carbonyl]-2,2,6-trimethyl-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)ccc3N(C(C2=S)(C)C)C(=O)c2cccc(c2)F)/S1)C(=O)OC

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Molecular Weight: 543.66
Empirical Formula: C26H22FNO5S3

Physical State: Dry powder
Available Amount: 105 mg

Lipinsky:
logP: 5.691
Rotatable bonds: 5
H-donors: 0
H-acceptors: 5
PSA: 155
Number of rings: 4

     

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