COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL186082
Chemical Name: 1-(4-bromophenyl)-2-[(5-{[(4-chlorophenyl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone
Smiles: Clc1ccc(cc1)NCc1nnc(n1c1ccccc1)SCC(=O)c1ccc(cc1)Br

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Molecular Weight: 513.84
Empirical Formula: C23H18BrClN4OS

Physical State: Dry powder
Available Amount: 103 mg

Lipinsky:
logP: 6.967
Rotatable bonds: 5
H-donors: 1
H-acceptors: 1
PSA: 85
Number of rings: 4

     

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