COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK245801
Chemical Name: 4-[({5-[1-(4-ethylphenoxy)ethyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]benzonitrile
Smiles: CCc1ccc(cc1)OC(c1nnc(n1C)SCC(=O)c1ccc(cc1)C#N)C

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Molecular Weight: 406.51
Empirical Formula: C22H22N4O2S

Physical State: Dry powder
Available Amount: 131 mg

Lipinsky:
logP: 4.664
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 106
Number of rings: 3

     

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