COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL414650
Chemical Name: 3-[1-(4-nitro-1H-pyrazol-1-yl)propyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
Smiles: CCC(c1nnc2n1CCCCC2)n1ncc(c1)[N+](=O)[O-]

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Molecular Weight: 290.33
Empirical Formula: C13H18N6O2

Physical State: Dry powder
Available Amount: 48 mg

Lipinsky:
logP: 1.889
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 94
Number of rings: 3

     

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