COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL395316
Chemical Name: 4-{[(E)-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene]amino}-5-methyl-4H-1,2,4-triazole-3-thiol
Smiles: COc1ccc(cc1Cn1nc(c(c1C)[N+](=O)[O-])C)/C=N/n1c(C)nnc1S

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Molecular Weight: 401.45
Empirical Formula: C17H19N7O3S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.521
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 154
Number of rings: 3

     

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