COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL271723
Chemical Name: 2-[3-{[(3-chloro-2-methylphenyl)amino]methyl}-4-(prop-2-en-1-yl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-1-phenylethanone
Smiles: C=CCn1c(CNc2cccc(c2C)Cl)nn(c1=S)CC(=O)c1ccccc1

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Molecular Weight: 412.94
Empirical Formula: C21H21ClN4OS

Physical State: Dry powder
Available Amount: 10 mg

Lipinsky:
logP: 3.583
Rotatable bonds: 6
H-donors: 1
H-acceptors: 1
PSA: 80
Number of rings: 3

     

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