COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK245590
Chemical Name: 2-({5-[3-(4-methoxyphenyl)propyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(3-nitrophenyl)ethanone
Smiles: COc1ccc(cc1)CCCc1nnc(n1C)SCC(=O)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 426.5
Empirical Formula: C21H22N4O4S

Physical State: Dry powder
Available Amount: 132 mg

Lipinsky:
logP: 4.517
Rotatable bonds: 7
H-donors: 0
H-acceptors: 4
PSA: 128
Number of rings: 3

     

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