COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL272238
Chemical Name: 2-(3-{[(4-chlorophenyl)amino]methyl}-4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)-1-(4-cyclohexylphenyl)ethanone
Smiles: Clc1ccc(cc1)NCc1nn(c(=S)n1c1ccccc1)CC(=O)c1ccc(cc1)C1CCCCC1

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Molecular Weight: 517.09
Empirical Formula: C29H29ClN4OS

Available Amount: 0 mg

Lipinsky:
logP: 6.944
Rotatable bonds: 4
H-donors: 1
H-acceptors: 1
PSA: 80
Number of rings: 5

     

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