COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL396473
Chemical Name: 3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-methyl-N-[(E)-(3-nitrophenyl)methylidene]-4H-1,2,4-triazol-4-amine
Smiles: [O-][N+](=O)c1cccc(c1)/C=N/n1c(nnc1C)SCn1nc(c(c1C)[N+](=O)[O-])C

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Molecular Weight: 416.42
Empirical Formula: C16H16N8O4S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.959
Rotatable bonds: 5
H-donors: 0
H-acceptors: 4
PSA: 177
Number of rings: 3

     

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