COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK401152
Chemical Name: dimethyl2-[({[4-ethyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzene-1,4-dicarboxylate
Smiles: COC(=O)c1ccc(cc1NC(=O)CSc1nnc(n1CC)c1cccnc1)C(=O)OC

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Molecular Weight: 455.49
Empirical Formula: C21H21N5O5S

Physical State: Dry powder
Available Amount: 620 mg

Lipinsky:
logP: 4.573
Rotatable bonds: 9
H-donors: 1
H-acceptors: 5
PSA: 150
Number of rings: 3

     

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