COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK119942
Chemical Name: 2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-nitrophenyl)ethanone
Smiles: Cn1c(SCC(=O)c2ccc(cc2)[N+](=O)[O-])nnc1COc1ccccc1C

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Molecular Weight: 398.44
Empirical Formula: C19H18N4O4S

Physical State: Dry powder
Available Amount: 31 mg

Lipinsky:
logP: 3.985
Rotatable bonds: 6
H-donors: 0
H-acceptors: 4
PSA: 128
Number of rings: 3

     

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