COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK439908
Chemical Name: methyl2-[({[4-ethyl-5-(4-methoxybenzyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]thiophene-3-carboxylate
Smiles: COc1ccc(cc1)Cc1nnc(n1CC)SCC(=O)Nc1sccc1C(=O)OC

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Molecular Weight: 446.55
Empirical Formula: C20H22N4O4S2

Physical State: Dry powder
Available Amount: 657 mg

Lipinsky:
logP: 4.455
Rotatable bonds: 7
H-donors: 1
H-acceptors: 4
PSA: 148
Number of rings: 3

     

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