COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK186921
Chemical Name: 2-({5-[(2,6-dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-methoxyphenyl)ethanone
Smiles: COc1ccc(cc1)C(=O)CSc1nnc(n1CC)COc1c(C)cccc1C

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Molecular Weight: 411.52
Empirical Formula: C22H25N3O3S

Physical State: Dry powder
Available Amount: 187 mg

Lipinsky:
logP: 5.297
Rotatable bonds: 6
H-donors: 0
H-acceptors: 3
PSA: 91
Number of rings: 3

     

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