COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK219395
Chemical Name: 1-(3,4-dimethoxyphenyl)-2-({5-[(2,6-dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone
Smiles: COc1cc(ccc1OC)C(=O)CSc1nnc(n1CC)COc1c(C)cccc1C

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Molecular Weight: 441.55
Empirical Formula: C23H27N3O4S

Physical State: Dry powder
Available Amount: 178 mg

Lipinsky:
logP: 5.378
Rotatable bonds: 9
H-donors: 0
H-acceptors: 4
PSA: 100
Number of rings: 3

     

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