COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK401191
Chemical Name: dimethyl2-[({[4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzene-1,4-dicarboxylate
Smiles: COC(=O)c1ccc(cc1NC(=O)CSc1nnc(n1CC)c1cccs1)C(=O)OC

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Molecular Weight: 460.53
Empirical Formula: C20H20N4O5S2

Physical State: Dry powder
Available Amount: 247 mg

Lipinsky:
logP: 5.25
Rotatable bonds: 9
H-donors: 1
H-acceptors: 5
PSA: 165
Number of rings: 3

     

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