COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK439951
Chemical Name: methyl2-({[(4-ethyl-5-hexyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)thiophene-3-carboxylate
Smiles: CCCCCCc1nnc(n1CC)SCC(=O)Nc1sccc1C(=O)OC

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Molecular Weight: 410.56
Empirical Formula: C18H26N4O3S2

Physical State: Dry powder
Available Amount: 512 mg

Lipinsky:
logP: 5.419
Rotatable bonds: 11
H-donors: 1
H-acceptors: 3
PSA: 139
Number of rings: 2

     

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