COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK122860
Chemical Name: 2-(2,6-dimethylphenoxy)-N-{[4-methyl-5-({2-[(2-methyl-5-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}acetamide
Smiles: O=C(NCc1nnc(n1C)SCC(=O)Nc1cc(ccc1C)[N+](=O)[O-])COc1c(C)cccc1C

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Molecular Weight: 498.56
Empirical Formula: C23H26N6O5S

Physical State: Dry powder
Available Amount: 125 mg

Lipinsky:
logP: 4.584
Rotatable bonds: 7
H-donors: 2
H-acceptors: 5
PSA: 169
Number of rings: 3

     

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