COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK118788
Chemical Name: 2-{[4-ethyl-5-({[(4-methoxyphenyl)acetyl]amino}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-nitrophenyl)acetamide
Smiles: COc1ccc(cc1)CC(=O)NCc1nnc(n1CC)SCC(=O)Nc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 484.54
Empirical Formula: C22H24N6O5S

Physical State: Dry powder
Available Amount: 231 mg

Lipinsky:
logP: 3.264
Rotatable bonds: 7
H-donors: 2
H-acceptors: 5
PSA: 169
Number of rings: 3

     

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