COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK302452
Chemical Name: 2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone
Smiles: CC1=NN(C(C1)(O)C(F)(F)F)C(=O)Cn1nc(c(c1C)Br)[N+](=O)[O-]

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Molecular Weight: 414.14
Empirical Formula: C11H11BrF3N5O4

Physical State: Dry powder
Available Amount: 30 mg

Lipinsky:
logP: 0.979
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 116
Number of rings: 2

     

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