COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL170962
Chemical Name: [3-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)tricyclo[3.3.1.1~3,7~]dec-1-yl](4-methylpiperazin-1-yl)methanone
Smiles: CN1CCN(CC1)C(=O)C12CC3CC(C1)CC(C2)(C3)n1nc(nc1Br)[N+](=O)[O-]

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Molecular Weight: 453.34
Empirical Formula: C18H25BrN6O3

Physical State: Dry powder
Available Amount: 42 mg

Lipinsky:
logP: 2.443
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 100
Number of rings: 6

     

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