COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK219161
Chemical Name: 2-({5-[(2,6-dimethylphenoxy)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(3-nitrophenyl)ethanone
Smiles: Cc1ccc(cc1)n1c(SCC(=O)c2cccc(c2)[N+](=O)[O-])nnc1COc1c(C)cccc1C

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Molecular Weight: 488.57
Empirical Formula: C26H24N4O4S

Physical State: Dry powder
Available Amount: 139 mg

Lipinsky:
logP: 7.165
Rotatable bonds: 6
H-donors: 0
H-acceptors: 4
PSA: 128
Number of rings: 4

     

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