COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL150610
Chemical Name: 4-(4-chlorophenyl)-3-{[4-(2,4-dimethylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-6-fluoroquinolin-2(1H)-one
Smiles: Clc1ccc(cc1)c1c(Sc2nnc(n2c2ccc(cc2C)C)c2cccs2)c(=O)[nH]c2c1cc(F)cc2

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Molecular Weight: 559.09
Empirical Formula: C29H20ClFN4OS2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 9.624
Rotatable bonds: 3
H-donors: 1
H-acceptors: 1
PSA: 113
Number of rings: 6

     

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