COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK445617
Chemical Name: 4-[2-(3,4-dimethoxyphenyl)ethyl]-5-{[(2-methylbenzyl)sulfanyl]methyl}-4H-1,2,4-triazole-3-thiol
Smiles: COc1ccc(cc1OC)CCn1c(S)nnc1CSCc1ccccc1C

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Molecular Weight: 415.58
Empirical Formula: C21H25N3O2S2

Physical State: Dry powder
Available Amount: 666 mg

Lipinsky:
logP: 5.43
Rotatable bonds: 10
H-donors: 0
H-acceptors: 2
PSA: 113
Number of rings: 3

     

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