COMPOUNDS FOR BIOLOGICAL SCREENING
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Vitas-M Lab ID: STL414568
Chemical Name: 3-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
Smiles: Cc1cc(nn1CCc1nnc2n1CCCCC2)[N+](=O)[O-]

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Molecular Weight: 290.33
Empirical Formula: C13H18N6O2

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 1.265
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 94
Number of rings: 3

     

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