COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK246098
Chemical Name: N-({4-ethyl-5-[(2-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-3,4-dimethoxybenzamide
Smiles: COc1cc(ccc1OC)C(=O)NCc1nnc(n1CC)SCc1ccccc1[N+](=O)[O-]

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Molecular Weight: 457.51
Empirical Formula: C21H23N5O5S

Physical State: Dry powder
Available Amount: 129 mg

Lipinsky:
logP: 3.205
Rotatable bonds: 9
H-donors: 1
H-acceptors: 5
PSA: 149
Number of rings: 3

     

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