COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL404111
Chemical Name: 6-{3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: [O-][N+](=O)c1nn(cc1Br)Cc1cccc(c1)c1nn2c(s1)nnc2

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Molecular Weight: 406.22
Empirical Formula: C13H8BrN7O2S

Physical State: Dry powder
Available Amount: 47 mg

Lipinsky:
logP: 2.844
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 134
Number of rings: 4

     

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