COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK400882
Chemical Name: 2-{[5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-nitrophenyl)acetamide
Smiles: COc1cc(ccc1OC)c1nnc(n1CC)SCC(=O)Nc1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 443.48
Empirical Formula: C20H21N5O5S

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 5.027
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 149
Number of rings: 3

     

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