COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK437117
Chemical Name: 2-({4-ethyl-5-[(3-methyl-4-nitrophenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1nnc(n1CC)COc1ccc(c(c1)C)[N+](=O)[O-]

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Molecular Weight: 457.51
Empirical Formula: C21H23N5O5S

Physical State: Dry powder
Available Amount: 440 mg

Lipinsky:
logP: 4.197
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 149
Number of rings: 3

     

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