COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL417506
Chemical Name: 2-{[5-(3,5-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3-nitrophenyl)ethanone
Smiles: COc1cc(OC)cc(c1)c1nnc(n1CC)SCC(=O)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 428.47
Empirical Formula: C20H20N4O5S

Physical State: Dry powder
Available Amount: 156 mg

Lipinsky:
logP: 4.91
Rotatable bonds: 7
H-donors: 0
H-acceptors: 5
PSA: 137
Number of rings: 3

     

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