COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL414566
Chemical Name: 3-[1-(3-methoxy-4-nitro-1H-pyrazol-1-yl)ethyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
Smiles: COc1nn(cc1[N+](=O)[O-])C(c1nnc2n1CCCCC2)C

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Molecular Weight: 306.32
Empirical Formula: C13H18N6O3

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 1.439
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 103
Number of rings: 3

     

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